Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 5/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.44 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14254599 | 1.00 | ALDH1A1 (0.52) | ALDH1A1ATMLMNARAB9ATSHR | |
| SCHEMBL5835332 | 0.82 | CA1 (0.41) | ALDH1A1SMN1; SMN2HPGDTDP1KDM4E | |
| SCHEMBL5524587 | 0.80 | ALDH1A1 (0.76) | ALDH1A1ATMTSHRSMN1; SMN2HPGD | |
| SCHEMBL14494335 | 0.73 | ALDH1A1 (0.62) | ALDH1A1ATMTSHRSMN1; SMN2HPGD | |
| SCHEMBL5515220 | 0.71 | SMN1; SMN2 (0.58) | ALDH1A1ATMLMNATSHRSMN1; SMN2 | |
| SCHEMBL5524642 | 0.71 | POLB (0.60) | ALDH1A1ATMLMNATSHRSMN1; SMN2 | |
| SCHEMBL5835344 | 0.70 | CA1 (0.41) | ALDH1A1LMNASMN1; SMN2HPGDTDP1 | |
| SCHEMBL13483824 | 0.68 | ALDH1A1 (0.58) | ALDH1A1ATMTSHRSMN1; SMN2HPGD | |
| SCHEMBL4705442 | 0.68 | KAT2B (0.39) | LMNATSHRSMN1; SMN2HTTNPSR1 | |
| SCHEMBL4705445 | 0.68 | KAT2B (0.39) | LMNATSHRSMN1; SMN2HTTNPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7342034-B2 | Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-03-11 | — | — | US | disclosed |
| US-7291637-B2 | Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-11-06 | — | — | US | disclosed |