Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | NQO1 | P15559 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11533562 | 0.89 | CHEK1 (0.43) | ALDH1A1MAPTKIF11GAACHEK1 | |
| SCHEMBL11536969 | 0.85 | CHEK1 (0.38) | ALDH1A1KIF11CDK1KDRADORA1 | |
| SCHEMBL11534250 | 0.83 | CHEK1 (0.49) | ALDH1A1MAPTKIF11ADORA1ADORA2A | |
| SCHEMBL11537781 | 0.82 | CHEK1 (0.38) | ALDH1A1MAPTKIF11POLBGAA | |
| SCHEMBL11536025 | 0.82 | CHEK1 (0.41) | ADORA1ADORA2ACHEK1ADORA2B | |
| SCHEMBL11535669 | 0.82 | ALDH1A1 (0.44) | NPC1RAB9AALDH1A1KIF11CHEK1 | |
| SCHEMBL11537892 | 0.79 | KIF11 (0.41) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL28067932 | 0.79 | CA4 (0.59) | NPC1RAB9AMAPTKIF11KCNH2 | |
| SCHEMBL10112758 | 0.79 | CA4 (0.59) | NPC1RAB9AMAPTKIF11KCNH2 | |
| SCHEMBL11537656 | 0.79 | KMT2A (0.41) | NPC1RAB9AMEN1KMT2AALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4139625-A | 5-(Substituted triphenylmethyl)picolinamides and their use as anti-acne agents | SCHERING CORPORATION (US) | 1979-02-13 | — | — | US | disclosed |
| US-4133887-A | Trityl picolinic acid derivatives and their use as anti-acne agents | SCHERING CORPORATION (US) | 1979-01-09 | — | — | US | disclosed |
| US-4127662-A | ANTIACNE | SCHERING CORPORATION (US) | 1978-11-28 | — | — | US | disclosed |
| US-4123433-A | ANTIACNE AGENTS | SCHERING CORPORATION (US) | 1978-10-31 | — | — | US | disclosed |
| US-4044140-A | Trityl picolinic acid derivatives and their use as anti-acne agents | SCHERING CORPORATION (US) | 1977-08-23 | — | — | US | disclosed |