Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | MGAM | O43451 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | SI | P14410 | 1/20 | 0.52 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.52 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.52 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.52 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.52 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.52 |
| ▸ | RAF1 | P04049 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.50 |
| ▸ | LDHA | P00338 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | KIT | P10721 | 2/20 | 0.48 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7270482 | 0.99 | CYP11B1 (0.57) | CYP11B1ALDH1A1PKMMGAMGAA | |
| SCHEMBL26086680 | 0.88 | ALDH1A1 (0.68) | CYP11B1ALDH1A1PKMMGAMGAA | |
| SCHEMBL30104615 | 0.88 | ALDH1A1 (0.68) | CYP11B1ALDH1A1PKMMGAMGAA | |
| SCHEMBL7429659 | 0.82 | MGAM (0.52) | CYP11B1ALDH1A1MGAMGAASI | |
| SCHEMBL7271736 | 0.82 | KDM4E (0.52) | ALDH1A1PKMMGAMGAASI | |
| SCHEMBL7279556 | 0.82 | NPC1 (0.52) | ALDH1A1PKMMAPK14KDM4ELDHA | |
| SCHEMBL4122566 | 0.81 | NPC1 (0.68) | ALDH1A1PKMMGAMGAASI | |
| SCHEMBL7127398 | 0.81 | NPC1 (0.65) | ALDH1A1PKMGAAMAPK13MAPK12 | |
| Hydrochloric Acid SCHEMBL7271935 | 0.80 | ALDH1A1 (0.74) | CYP11B1ALDH1A1PKMMAPK13MAPK12 | |
| SCHEMBL11231437 | 0.80 | KDM4E (0.76) | CYP11B1ALDH1A1KDM4ELDHAEPHX2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4904785-A | INOTROPIC AGENTS FOR CARDIOVASCULAR DISORDERS | ELI LILLY AND COMPANY (US) | 1990-02-27 | — | — | US | disclosed |
| US-4758574-A | 2-phenylimidazio (4,5-c) pyridines | ELI LILLY AND COMPANY (US) | 1988-07-19 | — | — | US | disclosed |
| EP-0093593-A2 | Pyridine compounds | ELI LILLY AND COMPANY (US) | 1983-11-09 | — | — | EP | disclosed |