Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.44 |
| ▸ | RELA | Q04206 | 2/20 | 0.44 |
| ▸ | KIF11 | P52732 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.33 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL11534894 | 0.93 | NPC1 (0.33) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL11535711 | 0.84 | CYP19A1 (0.40) | NPC1RAB9ASMN1; SMN2KIF11MEN1 | |
| SCHEMBL11535231 | 0.84 | KCNN4 (0.39) | RAB9AKIF11MEN1KMT2ACYP19A1 | |
| SCHEMBL11541379 | 0.84 | ALDH1A1 (0.48) | NPC1RAB9AKIF11ALDH1A1KMT2A | |
| SCHEMBL11534166 | 0.84 | TSHR (0.38) | SMN1; SMN2KIF11ALDH1A1MEN1KMT2A | |
| SCHEMBL11533304 | 0.81 | KIF11 (0.38) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL584462 | 0.80 | NPC1 (0.57) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL30930597 | 0.80 | NPC1 (0.57) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL11537892 | 0.80 | KIF11 (0.41) | NPC1RAB9ASMN1; SMN2KIF11ALDH1A1 | |
| SCHEMBL11537554 | 0.80 | KCNN4 (0.40) | KIF11CYP19A1 |
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 |