Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 7/20 | 0.58 |
| ▸ | SREBF2 | Q12772 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 5/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.46 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6649374 | 0.91 | SREBF2 (0.59) | CYP19A1SREBF2KDM4EMAPTPOLB | |
| SCHEMBL6628863 | 0.88 | CYP19A1 (0.48) | CYP19A1SREBF2KDM4ERAB9ASMN1; SMN2 | |
| SCHEMBL6646406 | 0.87 | KDM4E (0.61) | CYP19A1SREBF2KDM4EMAPTATM | |
| SCHEMBL6649987 | 0.87 | KDM4E (0.56) | CYP19A1SREBF2KDM4ERAB9ANPC1 | |
| SCHEMBL6652389 | 0.86 | KDM4E (0.59) | CYP19A1SREBF2KDM4ERAB9ANPC1 | |
| SCHEMBL6626251 | 0.84 | KDM4E (0.52) | CYP19A1KDM4ERAB9ASMN1; SMN2NPC1 | |
| SCHEMBL6651298 | 0.82 | CYP19A1 (0.47) | CYP19A1KDM4ERAB9ASMN1; SMN2NPC1 | |
| SCHEMBL6646510 | 0.81 | CDC25A (0.56) | CYP19A1KDM4EMAPTRAB9ASMN1; SMN2 | |
| SCHEMBL6648675 | 0.81 | EIF4E (0.58) | KDM4ERAB9ANPC1MEN1KMT2A | |
| SCHEMBL6649359 | 0.81 | CYP19A1 (0.46) | CYP19A1KDM4EMAPTRAB9ASMN1; SMN2 |
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-1432706-A2 | 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS | Bayer Pharmaceuticals Corporation (US) | 2004-06-30 | — | — | EP | disclosed |
| WO-2003027085-A2 | 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-04-03 | — | — | WO | disclosed |