Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | WDR5 | P61964 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MMP3 | P08254 | 1/20 | 0.46 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL9009477 | 0.88 | ALDH1A1 (0.60) | ALDH1A1WDR5TAAR1HSD17B10CYP3A4 | |
| Biphenyl SCHEMBL11137586 | 0.88 | ALDH1A1 (0.60) | ALDH1A1WDR5TAAR1HSD17B10CYP3A4 | |
| Biphenyl SCHEMBL987489 | 0.88 | ALDH1A1 (0.60) | ALDH1A1WDR5TAAR1HSD17B10CYP3A4 | |
| Biphenyl SCHEMBL5916273 | 0.85 | ALDH1A1 (0.56) | ALDH1A1WDR5TAAR1HSD17B10CYP3A4 | |
| Biphenyl SCHEMBL10474290 | 0.82 | ALDH1A1 (0.53) | ALDH1A1WDR5MMP3BCL2L1CA1 | |
| Biphenyl SCHEMBL22574598 | 0.82 | ALDH1A1 (0.53) | ALDH1A1WDR5MMP3BCL2L1CA1 | |
| Phenol SCHEMBL6131159 | 0.80 | TDP1 (0.61) | ALDH1A1HSD17B10CYP3A4TDP1MMP3 | |
| Biphenyl SCHEMBL28773738 | 0.80 | ALDH1A1 (0.50) | ALDH1A1WDR5TAAR1HSD17B10CYP3A4 | |
| Toluene SCHEMBL27379061 | 0.78 | LMNA (0.58) | ALDH1A1MAPTSMN1; SMN2LMNATSHR | |
| Biphenyl SCHEMBL9009481 | 0.78 | ALDH1A1 (0.47) | ALDH1A1WDR5MMP3BCL2L1CA1 |
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-5500414-A | TREATMENT OF PERIODONTAL DISESASE, INHIBITION OF ZINC METALLOPROTEASES | COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) | 1996-03-19 | — | — | US | disclosed |