Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HBB | P68871 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | HRH1 | P35367 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13415572 | 1.00 | GAA (0.50) | GAASMN1; SMN2TP53HBBUSP2 | |
| SCHEMBL336214 | 1.00 | GAA (0.50) | GAASMN1; SMN2TP53HBBUSP2 | |
| Oxirane SCHEMBL11744619 | 0.98 | GAA (0.49) | GAASMN1; SMN2TP53HBBUSP2 | |
| SCHEMBL19032113 | 0.98 | GAA (0.49) | GAASMN1; SMN2TP53HBBUSP2 | |
| Hydrochloric Acid SCHEMBL11217328 | 0.98 | GAA (0.49) | GAASMN1; SMN2TP53HBBUSP2 | |
| Ether SCHEMBL4144735 | 0.86 | GAA (0.41) | GAASMN1; SMN2TP53HBBHTR2A | |
| SCHEMBL11765522 | 0.86 | — | — | |
| SCHEMBL3211746 | 0.84 | — | — | |
| SCHEMBL354055 | 0.84 | TP53 (0.48) | GAASMN1; SMN2TP53HBBALDH1A1 | |
| SCHEMBL335246 | 0.79 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130303518-A1 | Methods of Inhibiting the Catalytic Activity of a Protein Kinase and of Treating a Protein Kinase Related Disorder | SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) | 2013-11-14 | — | — | US | disclosed |
| US-20130303518-A1 | Methods of Inhibiting the Catalytic Activity of a Protein Kinase and of Treating a Protein Kinase Related Disorder | SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) | 2013-11-14 | — | — | US | disclosed |
| US-20130303518-A1 | Methods of Inhibiting the Catalytic Activity of a Protein Kinase and of Treating a Protein Kinase Related Disorder | SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) | 2013-11-14 | — | — | US | disclosed |
| US-8329682-B2 | Pyrrolo-nitrogenous heterocyclic derivatives, the preparation and the pharmaceutical use thereof | SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) | 2012-12-11 | — | — | US | disclosed |
| US-8329682-B2 | Pyrrolo-nitrogenous heterocyclic derivatives, the preparation and the pharmaceutical use thereof | SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) | 2012-12-11 | — | — | US | disclosed |
| US-8329682-B2 | Pyrrolo-nitrogenous heterocyclic derivatives, the preparation and the pharmaceutical use thereof | SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) | 2012-12-11 | — | — | US | disclosed |
| US-20100075952-A1 | PYRROLO-NITROGENOUS HETEROCYCLIC DERIVATIES,THE PREPARATION AND THE PHARMCETICAL USE THEEOF | SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD (CN) | 2010-03-25 | — | — | US | disclosed |
| US-20100075952-A1 | PYRROLO-NITROGENOUS HETEROCYCLIC DERIVATIES,THE PREPARATION AND THE PHARMCETICAL USE THEEOF | SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD (CN) | 2010-03-25 | — | — | US | disclosed |
| US-20100075952-A1 | PYRROLO-NITROGENOUS HETEROCYCLIC DERIVATIES,THE PREPARATION AND THE PHARMCETICAL USE THEEOF | SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD (CN) | 2010-03-25 | — | — | US | disclosed |
| EP-2157093-A1 | PYRROLO-NITROGENOUS HETEROCYCLIC DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF | Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) | 2010-02-24 | — | — | EP | disclosed |
| US-20090105259-A1 | Acyclic 1,4-Diamines and Uses Thereof | SMITHKLINE BEECHAM CORPORATION | 2009-04-23 | — | — | US | disclosed |
| US-20090105259-A1 | Acyclic 1,4-Diamines and Uses Thereof | SMITHKLINE BEECHAM CORPORATION | 2009-04-23 | — | — | US | disclosed |
| US-20070043022-A1 | 2-[6-{[2-(3-Hydroxy-propyl)-5-methyl-phenylamino]-methyl}-2-(3-morpholin-4-yl-propylamino)-benzimidazol-1-ylmethyl]-6-methyl-pyridin-3-ol, or its N-oxide, salt, quaternary amine, or metal complex; optionally with an additional antiviral agent | JANSSEN SCIENCES IRELAND UC (IE) | 2007-02-22 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100075952-A1 | PYRROLO-NITROGENOUS HETEROCYCLIC DERIVATIES,THE PREPARATION AND THE PHARMCETICAL USE THEEOF | MTOR, PKN2, MAP3K15 | GAA 3720/4885SMN1; SMN2 4172/4885TP53 1651/4885 |
| US-20070043022-A1 | 2-[6-{[2-(3-Hydroxy-propyl)-5-methyl-phenylamino]-methyl}-2-(3-morpholin-4-yl-propylamino)-benzimidazol-1-ylmethyl]-6-methyl-pyridin-3-ol, or its N-oxide, salt, quaternary amine, or metal complex; optionally with an additional antiviral agent | H1-2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-3 | GAA 4158/4885SMN1; SMN2 676/4885TP53 3080/4885 |
| US-20090105259-A1 | Acyclic 1,4-Diamines and Uses Thereof | TRPV4, TRPC4, TRPV1 | GAA 3715/4885SMN1; SMN2 2937/4885TP53 4387/4885 |
| US-20130303518-A1 | Methods of Inhibiting the Catalytic Activity of a Protein Kinase and of Treating a Protein Kinase Related Disorder | PRKACA, PACSIN2, PRKACB | GAA 397/4885SMN1; SMN2 468/4885TP53 2597/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.