Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.36 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | THRB | P10828 | 2/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | TTK | P33981 | 1/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.36 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11540051 | 0.93 | ALDH1A1 (0.40) | NOTUMDGAT1SOAT1KCNH2MAPT | |
| SCHEMBL11535988 | 0.84 | TSHR (0.38) | KIF11CYP2C9MAPTTHRBALDH1A1 | |
| SCHEMBL11534086 | 0.84 | KCNN4 (0.42) | KIF11ALDH1A1FKBP5RAB9A | |
| SCHEMBL11536096 | 0.84 | ALDH1A1 (0.48) | KIF11DGAT1SOAT1KCNH2ALDH1A1 | |
| SCHEMBL11539117 | 0.84 | KIF11 (0.37) | KIF11ALDH1A1L3MBTL1CYP1A2FKBP5 | |
| SCHEMBL11536704 | 0.80 | RORC (0.41) | KIF11KCNH2ALDH1A1BACE1 | |
| SCHEMBL11535177 | 0.79 | KCNN4 (0.42) | KIF11KDM4EHPGDRAB9A | |
| SCHEMBL11536812 | 0.79 | ALDH1A1 (0.42) | KIF11ALDH1A1 | |
| SCHEMBL694974 | 0.78 | MAPT (0.48) | NOTUMMAPTTHRBAURKACASP1 | |
| SCHEMBL20806535 | 0.78 | KIF11 (0.59) | KIF11CYP2C9PTPN5ALDH1A1CYP1A2 |
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 |