Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | NOTUM | Q6P988 | 12/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.49 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.49 |
| ▸ | HTR3A | P46098 | 1/20 | 0.49 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.41 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10104447 | 0.83 | NOTUM (0.56) | ALDH1A1PKMNOTUMCYP1A2CYP2C9 | |
| SCHEMBL996130 | 0.78 | ALDH1A1 (0.61) | ALDH1A1PKMNOTUMKDM4ELMNA | |
| SCHEMBL18586211 | 0.78 | NOTUM (0.55) | NOTUMCYP1A2CYP2C9CHRNB2CYP2B6 | |
| SCHEMBL18608877 | 0.78 | NOTUM (0.55) | NOTUMCYP1A2CYP2C9CHRNB2CYP2B6 | |
| SCHEMBL17007151 | 0.78 | NOTUM (0.51) | ALDH1A1NOTUMCYP1A2CYP2C9CHRNB2 | |
| SCHEMBL28141722 | 0.76 | NTRK1 (0.49) | ALDH1A1NOTUMCYP1A2CYP2C9CHRNB2 | |
| SCHEMBL26805331 | 0.76 | NOTUM (0.53) | ALDH1A1NOTUMCYP1A2CYP2C9CHRNB2 | |
| SCHEMBL30476082 | 0.76 | NOTUM (0.53) | ALDH1A1NOTUMCYP1A2CYP2C9CHRNB2 | |
| SCHEMBL28781469 | 0.75 | NOTUM (0.57) | NOTUMCYP1A2CYP2C9CHRNB2CYP2B6 | |
| SCHEMBL31038481 | 0.74 | NOTUM (0.50) | ALDH1A1PKMNOTUMCYP1A2CYP2C9 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103896865-A | 1,4-pentadiene-3-ketone compounds containing triazole amide and preparation method and application thereof | XINGYI NORMAL UNIVERSITY FOR NATIONALITIES | 2014-07-02 | — | — | CN | disclosed |
| US-8669274-B2 | Metalloenzyme inhibitor compounds | VIAMET PHARMACEUTICALS, INC. (US) | 2014-03-11 | — | — | US | disclosed |
| US-8669274-B2 | Metalloenzyme inhibitor compounds | VIAMET PHARMACEUTICALS, INC. (US) | 2014-03-11 | — | — | US | disclosed |
| WO-2012082746-A2 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2012-06-21 | — | — | WO | disclosed |
| US-20120149729-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2012-06-14 | — | — | US | disclosed |
| US-20120149729-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2012-06-14 | — | — | US | disclosed |
| US-8003657-B2 | Heterocyclic substituted bisarylurea derivatives | MERCK PATENT GMBH (DE) | 2011-08-23 | — | — | US | disclosed |
| US-8003657-B2 | Heterocyclic substituted bisarylurea derivatives | MERCK PATENT GMBH (DE) | 2011-08-23 | — | — | US | disclosed |
| US-20090215799-A1 | HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES | MERCK PATENT GMBH | 2009-08-27 | — | — | US | disclosed |
| US-20090215799-A1 | HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES | MERCK PATENT GMBH | 2009-08-27 | — | — | US | disclosed |
| US-20090124633-A1 | N-OXIDES OF HETEROCYCLIC SUBSTITUTED BISARYLUREAS FOR TREATING KINASE-MEDIATED DISEASES | MERCK PATENT GESELLSCHAFT (DE) | 2009-05-14 | — | — | US | disclosed |
| US-20090124633-A1 | N-OXIDES OF HETEROCYCLIC SUBSTITUTED BISARYLUREAS FOR TREATING KINASE-MEDIATED DISEASES | MERCK PATENT GESELLSCHAFT (DE) | 2009-05-14 | — | — | 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-20090124633-A1 | N-OXIDES OF HETEROCYCLIC SUBSTITUTED BISARYLUREAS FOR TREATING KINASE-MEDIATED DISEASES | ABL1, NME2, MAP3K1 | ALDH1A1 2311/4885PKM 404/4885NOTUM 1938/4885 |
| US-20090215799-A1 | HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES | ABL1, BTK, PRKACA | ALDH1A1 1181/4885PKM 311/4885NOTUM 1328/4885 |
| US-20120149729-A1 | METALLOENZYME INHIBITOR COMPOUNDS | MMEL1, GPX1, MPO | ALDH1A1 289/4885PKM 1188/4885NOTUM 1126/4885 |
“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.