Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCOA1 | Q15788 | 1/20 | 0.36 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8196760 | 0.93 | NCOA1 (0.39) | NCOA1NCOA3MAOAALDH1A1CYP3A4 | |
| SCHEMBL8539438 | 0.91 | MAOB (0.39) | ALDH1A1 | |
| SCHEMBL8196761 | 0.87 | ALDH1A1 (0.38) | MAOACYP19A1ALDH1A1CYP3A4TSHR | |
| SCHEMBL8588841 | 0.81 | MAOB (0.38) | ALDH1A1CYP3A4 | |
| SCHEMBL8588547 | 0.79 | ALDH1A1 (0.32) | ALDH1A1TDP1TEAD4 | |
| SCHEMBL8588502 | 0.79 | MAOB (0.42) | ALDH1A1CYP3A4 | |
| SCHEMBL8536449 | 0.76 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL8697608 | 0.74 | ALDH1A1 (0.33) | ALDH1A1TDP1TEAD4 | |
| SCHEMBL337275 | 0.71 | CCR2 (0.36) | — | |
| SCHEMBL8697670 | 0.70 | SMN1; SMN2 (0.48) | ALDH1A1TDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5750789-A | FROM CORRESPONDING DIAMINE | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1998-05-12 | — | — | US | claimed |