Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.62 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | NPC1 | O15118 | 3/20 | 0.62 |
| ▸ | RAB9A | P51151 | 3/20 | 0.62 |
| ▸ | MAPT | P10636 | 3/20 | 0.62 |
| ▸ | HPGD | P15428 | 3/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.62 |
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.45 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.43 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Benzidine SCHEMBL28084252 | 0.96 | ALDH1A1 (0.67) | HSD17B10CYP3A4TDP1TAAR1ALDH1A1 | |
| Fluorene SCHEMBL28257630 | 0.89 | MAPT (0.75) | HSD17B10CYP3A4TDP1TAAR1ALDH1A1 | |
| Fluorene SCHEMBL6009482 | 0.87 | KDM4E (0.65) | CYP3A4ALDH1A1NPC1RAB9AMAPT | |
| Fluorene SCHEMBL5076892 | 0.87 | KDM4E (0.65) | CYP3A4ALDH1A1NPC1RAB9AMAPT | |
| Fluorene SCHEMBL473154 | 0.87 | MAOA (0.56) | CYP3A4ALDH1A1NPC1RAB9AMAPT | |
| SCHEMBL19673520 | 0.86 | ALDH1A1 (0.67) | HSD17B10CYP3A4TDP1TAAR1ALDH1A1 | |
| Biphenyl SCHEMBL27512224 | 0.86 | HSD17B10 (0.50) | HSD17B10CYP3A4TDP1TAAR1ALDH1A1 | |
| Benzidine SCHEMBL28228770 | 0.86 | HSD17B10 (0.50) | HSD17B10CYP3A4TDP1TAAR1ALDH1A1 | |
| Fluorene SCHEMBL27273010 | 0.84 | MAOA (0.54) | CYP3A4ALDH1A1NPC1RAB9AMAPT | |
| SCHEMBL25301802 | 0.80 | HSD17B10 (0.79) | HSD17B10CYP3A4TDP1TAAR1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105237520-B | A kind of compound-material containing pyrazoline structure and its application | 江苏三月光电科技有限公司 | 2018-01-30 | — | — | CN | claimed |