Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | CCNC | P24863 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | GABRP | O00591 | 1/20 | 0.38 |
| ▸ | GABRD | O14764 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 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 | |
|---|---|---|---|---|
| SCHEMBL7219031 | 0.89 | KDM4E (0.49) | MBOAT4TSHRKDM4ELMNACYP3A4 | |
| SCHEMBL3242600 | 0.82 | CYP1A2 (0.44) | MBOAT4CTSSCTSKCCNCCDK8 | |
| SCHEMBL11365491 | 0.79 | CCNC (0.53) | LMNACYP3A4CYP19A1CCNCCDK8 | |
| SCHEMBL17843154 | 0.79 | CCNC (0.41) | MBOAT4TSHRKDM4ELMNACYP3A4 | |
| SCHEMBL3870198 | 0.79 | CCNC (0.40) | MBOAT4TSHRKDM4ELMNACYP3A4 | |
| SCHEMBL3869976 | 0.79 | CCNC (0.40) | MBOAT4LMNACYP19A1CCNCCDK8 | |
| SCHEMBL7219740 | 0.78 | NOS2 (0.46) | TSHRHSD17B10CYP19A1CTSSCTSK | |
| SCHEMBL22637777 | 0.78 | MBOAT4 (0.39) | MBOAT4CYP19A1CCNCCDK8GAK | |
| SCHEMBL15778536 | 0.77 | KDM5A (0.61) | CYP19A1 | |
| SCHEMBL6560564 | 0.76 | KDM4E (0.44) | TSHRKDM4ELMNACYP3A4GABRP |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008030408-A2 | PROTEOMIMETIC COMPOUNDS AS INHIBITORS OF THE INTERACTION OF A NUCLEAR RECEPTOR WITH COACTIVATOR PEPTIDES | YALE UNIVERSITY (US) | 2008-03-13 | — | — | WO | disclosed |
| US-6603007-B1 | Intermediates in the fields of pharmaceuticals, agrichemicals, ligands, silver halide photosensitive materials, liquid crystals, surfactants, electrophotography and organic electroluminescence | SANKIO CHEMICAL CO., LTD. (JP) | 2003-08-05 | — | — | US | disclosed |
| EP-1231207-A1 | NOVEL BIPYRIDYL DERIVATIVES | Sankio Chemical Co., Ltd. (JP) | 2002-08-14 | — | — | EP | disclosed |