Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 9/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 9/20 | 0.67 |
| ▸ | NPC1 | O15118 | 8/20 | 0.67 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.67 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.67 |
| ▸ | RELA | Q04206 | 3/20 | 0.67 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.67 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.67 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | STAT3 | P40763 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | CASP3 | P42574 | 2/20 | 0.45 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.45 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.45 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9805575 | 0.92 | RAB9A (0.56) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL9805354 | 0.92 | RAB9A (0.56) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL9805437 | 0.91 | RAB9A (0.61) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL9805434 | 0.85 | RAB9A (0.67) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL9805694 | 0.84 | RAB9A (0.65) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL9805529 | 0.84 | RAB9A (0.65) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL9805635 | 0.83 | RAB9A (0.58) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL9805398 | 0.82 | RAB9A (0.51) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL9805528 | 0.82 | RAB9A (0.51) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL9805582 | 0.79 | RAB9A (0.61) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0242716-B1 | LIQUID-CRYSTALLINE PYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1991-03-20 | — | — | EP | disclosed |
| US-4898455-A | Pyridine liquid crystalline compounds | HOFFMANN-LA ROCHE INC. (US) | 1990-02-06 | — | — | US | disclosed |
| EP-0242716-A1 | Liquid-crystalline pyridine derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1987-10-28 | — | — | EP | disclosed |