Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 3/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.33 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.33 |
| ▸ | GABRE | P78334 | 1/20 | 0.33 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.33 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.33 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.33 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
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 | 0.87 | CHEK1 (0.43) | CHEK1KIF11GABRA1GABRG2GABRB3 | |
| SCHEMBL11536609 | 0.83 | CHEK1 (0.38) | CHEK1KIF11GABRA1GABRG2GABRB3 | |
| SCHEMBL11536344 | 0.81 | KIF11 (0.38) | CHEK1KIF11GABRA1GABRG2GABRB3 | |
| SCHEMBL11533304 | 0.81 | KIF11 (0.38) | KIF11GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL11534250 | 0.81 | CHEK1 (0.49) | CHEK1KIF11GABRA1GABRG2GABRB3 | |
| SCHEMBL11536025 | 0.80 | CHEK1 (0.41) | CHEK1GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL11535669 | 0.80 | ALDH1A1 (0.44) | CHEK1KIF11DGAT1NPC1TSHR | |
| SCHEMBL11536969 | 0.80 | CHEK1 (0.38) | CHEK1KIF11GABRA1GABRG2GABRB3 | |
| SCHEMBL11537781 | 0.80 | CHEK1 (0.38) | CHEK1KIF11GABRA1GABRG2GABRB3 | |
| SCHEMBL11537287 | 0.78 | CTSS (0.48) | DGAT1TSHRSMN1; SMN2CTSSELANE |
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 |