Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | MMP8 | P22894 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | ECE1 | P42892 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13575676 | 1.00 | TSHR (0.37) | TSHRUSP2MMP1MMP2MMP3 | |
| SCHEMBL13821899 | 1.00 | TSHR (0.37) | TSHRUSP2MMP1MMP2MMP3 | |
| SCHEMBL14108236 | 0.83 | USP2 (0.46) | TSHRUSP2MMP8DPP4KMT2A | |
| SCHEMBL12631594 | 0.82 | KDM4C (0.42) | TSHRUSP2MMP1MMP2MMP3 | |
| SCHEMBL25583449 | 0.80 | DPP4 (0.32) | TSHRUSP2DPP4ALDH1A1 | |
| SCHEMBL13575661 | 0.79 | CA1 (0.39) | TSHRUSP2MMP1MMP2MMP3 | |
| SCHEMBL13821721 | 0.79 | CA1 (0.39) | TSHRUSP2MMP1MMP2MMP3 | |
| SCHEMBL13688963 | 0.77 | ALDH1A1 (0.57) | KMT2AECE1ALDH1A1LMNAMAPT | |
| SCHEMBL14108224 | 0.77 | USP2 (0.52) | TSHRUSP2DPP4SMN1; SMN2KMT2A | |
| SCHEMBL14619631 | 0.77 | TSHR (0.47) | TSHRUSP2MMP8KMT2AECE1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8354403-B2 | Pyrrolidine derived beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2013-01-15 | — | — | US | disclosed |
| US-8247421-B2 | 5-cyano-4-(pyrrolo [2,3B] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-08-21 | — | — | US | disclosed |
| US-20120157432-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME, CORP. (US) | 2012-06-21 | — | — | US | disclosed |
| US-20110301235-A1 | ORGANOSELENIUM COMPOUNDS AND USES THEREOF | ALQUEST THERAPEUTICS, INC. (US) | 2011-12-08 | — | — | US | disclosed |
| US-20100189773-A1 | 5-CYANO-4- (PYRROLO [2,3] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED | 2010-07-29 | — | — | 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 (3 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-20100189773-A1 | 5-CYANO-4- (PYRROLO [2,3] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | MAP3K5, CDK5, MAP3K20 | TSHR 3416/4885USP2 2900/4885MMP1 4715/4885 |
| US-20110301235-A1 | ORGANOSELENIUM COMPOUNDS AND USES THEREOF | GPX4, GPX1, HMGCR | TSHR 2370/4885USP2 3208/4885MMP1 4373/4885 |
| US-20120157432-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | TSHR 331/4885USP2 4207/4885MMP1 4644/4885 |
“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.