Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | TYK2 | P29597 | 1/20 | 0.32 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11838207 | 0.83 | ADH1B (0.38) | SMYD3HSP90AA1SMN1; SMN2POLBALDH1A1 | |
| SCHEMBL11835240 | 0.82 | OPRL1 (0.39) | SMYD3HRH3KCNH2HRH4 | |
| SCHEMBL11824378 | 0.81 | HSP90AA1 (0.32) | HSP90AA1SMN1; SMN2POLB | |
| SCHEMBL26046351 | 0.74 | HRH3 (0.46) | HRH3NPC1RAB9A | |
| SCHEMBL11837740 | 0.72 | HDAC1 (0.38) | SMYD3SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL16960421 | 0.72 | SLC6A4 (0.37) | SMYD3ALDH1A1 | |
| SCHEMBL16961163 | 0.70 | OPRL1 (0.39) | SMN1; SMN2 | |
| SCHEMBL23126972 | 0.68 | OPRL1 (0.40) | — | |
| SCHEMBL20975790 | 0.68 | OPRL1 (0.39) | — | |
| SCHEMBL16961160 | 0.68 | TRPA1 (0.36) | SMYD3SMN1; SMN2NPC1RAB9AALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3960961-A | 4'-Fluoro-4-{[4-(phenyl)cyclohexyl]amino}butyrophenones and the salts thereof | THE UPJOHN COMPANY (US) | 1976-06-01 | — | — | US | disclosed |