Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 13/20 | 0.41 |
| ▸ | NEK2 | P51955 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | APAF1 | O14727 | 1/20 | 0.38 |
| ▸ | NSD2 | O96028 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | GALK1 | P51570 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HKDC1 | Q2TB90 | 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 | |
|---|---|---|---|---|
| SCHEMBL15903964 | 0.91 | NOTUM (0.50) | KDM4ECYP2C19NOTUM | |
| SCHEMBL2479136 | 0.87 | NOTUM (0.33) | KDM4ECYP2C19USP2HPGDNPSR1 | |
| SCHEMBL15903928 | 0.82 | ALDH1A1 (0.47) | KDM4EHSD17B10NOTUMMAPTKMT2A | |
| SCHEMBL15904030 | 0.72 | MAPT (0.41) | KDM4EHSD17B10POLBMAPTTHRB | |
| SCHEMBL2480855 | 0.71 | HRH3 (0.34) | KMT2A | |
| SCHEMBL695794 | 0.71 | ALDH1A1 (0.31) | LMNATDP1 | |
| SCHEMBL2479690 | 0.69 | HRH3 (0.34) | KMT2A | |
| SCHEMBL5484682 | 0.69 | KDM4E (0.40) | KDM4ECYP2C19USP2HPGDNPSR1 | |
| SCHEMBL2481512 | 0.69 | MAPK1 (0.35) | — | |
| SCHEMBL187983 | 0.68 | ADRB1 (0.36) | KDM4ELMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2948450-A1 | METALLOENZYME INHIBITOR COMPOUNDS | Viamet Pharmaceuticals, Inc. (US) | 2015-12-02 | — | — | EP | disclosed |
| WO-2014117090-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2014-07-31 | — | — | WO | disclosed |