Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 8/20 | 1.00 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 1.00 |
| ▸ | NPC1 | O15118 | 7/20 | 1.00 |
| ▸ | NFKB1 | P19838 | 2/20 | 1.00 |
| ▸ | NFKB2 | Q00653 | 2/20 | 1.00 |
| ▸ | RELA | Q04206 | 2/20 | 1.00 |
| ▸ | TP53 | P04637 | 1/20 | 0.82 |
| ▸ | RARB | P10826 | 7/20 | 0.71 |
| ▸ | MAPT | P10636 | 4/20 | 0.68 |
| ▸ | STAT3 | P40763 | 1/20 | 0.68 |
| ▸ | ATM | Q13315 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | CASP3 | P42574 | 2/20 | 0.67 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.67 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.67 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.67 |
| ▸ | HPGD | P15428 | 2/20 | 0.67 |
| ▸ | MEN1 | O00255 | 1/20 | 0.67 |
| ▸ | RARA | P10276 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL10662853 | 0.99 | RAB9A (0.97) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL9723816 | 0.99 | RAB9A (0.97) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL10470971 | 0.93 | RAB9A (0.86) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL8595854 | 0.91 | SMN1; SMN2 (0.83) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL9734731 | 0.90 | SMN1; SMN2 (0.82) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL10348208 | 0.88 | RAB9A (0.78) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL9697509 | 0.86 | RAB9A (0.76) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| Hydrochloric Acid SCHEMBL10661558 | 0.85 | RAB9A (0.74) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL9435126 | 0.85 | RAB9A (0.74) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL9620646 | 0.85 | RAB9A (0.79) | 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 7 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 |
| EP-0370081-A1 | CHIRAL OR ACHIRAL CYCLIC COMPOUNDS | MERCK PATENT GmbH (DE) | 1990-05-30 | — | — | EP | disclosed |
| US-4913837-A | Heterocyclic compounds | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1990-04-03 | — | — | US | disclosed |
| US-4898455-A | Pyridine liquid crystalline compounds | HOFFMANN-LA ROCHE INC. (US) | 1990-02-06 | — | — | US | disclosed |
| WO-1989009764-A1 | CHIRAL OR ACHIRAL CYCLIC COMPOUNDS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-10-19 | — | — | WO | disclosed |
| EP-0242716-A1 | Liquid-crystalline pyridine derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1987-10-28 | — | — | EP | disclosed |
| WO-1987004158-A2 | HETEROCYCLIC COMPOUNDS AS COMPONENTS OF LIQUID CRYSTAL PHASES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1987-07-16 | — | — | WO | disclosed |