Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 2/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CCR6 | P51684 | 1/20 | 0.37 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.37 |
| ▸ | ELANE | P08246 | 2/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | GPBAR1 | Q8TDU6 | 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 | |
|---|---|---|---|---|
| SCHEMBL11533562 | 0.92 | CHEK1 (0.43) | ALDH1A1TSHRDGAT1CTSSKIF11 | |
| SCHEMBL11536025 | 0.88 | CHEK1 (0.41) | DGAT1CHEK1 | |
| SCHEMBL11538502 | 0.87 | DGAT1 (0.38) | DGAT1CTSSCHEK1CCR6 | |
| SCHEMBL11537287 | 0.86 | CTSS (0.48) | ALDH1A1TSHRDGAT1CYP3A4CYP3A5 | |
| SCHEMBL11534250 | 0.86 | CHEK1 (0.49) | ALDH1A1DGAT1CTSSKIF11CHEK1 | |
| SCHEMBL11536969 | 0.84 | CHEK1 (0.38) | ALDH1A1TSHRDGAT1KIF11CHEK1 | |
| SCHEMBL11537781 | 0.84 | CHEK1 (0.38) | ALDH1A1DGAT1CYP3A4CYP19A1KIF11 | |
| SCHEMBL2553743 | 0.83 | DGAT1 (0.50) | ALDH1A1DGAT1CYP3A4CYP3A5CTSS | |
| SCHEMBL30841758 | 0.83 | DGAT1 (0.50) | ALDH1A1DGAT1CYP3A4CYP3A5CTSS | |
| SCHEMBL11536609 | 0.82 | CHEK1 (0.38) | DGAT1CYP19A1CTSSKIF11CHEK1 |
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 |