Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 5/20 | 0.34 |
| ▸ | PRSS2 | P07478 | 5/20 | 0.34 |
| ▸ | PRSS3 | P35030 | 5/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 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 | |
|---|---|---|---|---|
| SCHEMBL8658357 | 0.93 | ALDH1A1 (0.33) | PRSS1PRSS2PRSS3 | |
| SCHEMBL8661596 | 0.85 | — | — | |
| SCHEMBL8664184 | 0.83 | CYP3A4 (0.33) | HPGD | |
| SCHEMBL8661981 | 0.82 | HPGD (0.30) | HPGD | |
| SCHEMBL8662239 | 0.81 | CYP3A4 (0.35) | — | |
| SCHEMBL8662230 | 0.80 | CYP3A4 (0.36) | — | |
| SCHEMBL7652315 | 0.80 | CYP26A1 (0.37) | PRSS1PRSS2PRSS3MAOAMAOB | |
| SCHEMBL8671496 | 0.75 | KMT2A (0.45) | MAOAHPGD | |
| SCHEMBL8659480 | 0.74 | CYP3A4 (0.40) | — | |
| SCHEMBL7817655 | 0.74 | ACACB (0.32) | AKR1B1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5750693-A | THIOCHROMANYL OR CHROMANYL COMPOUNDS AS ANTICARCINOGINIC AGENTS, SKIN DISORDERS AND ATHEROSCLEROSIS | ALLERGAN (US) | 1998-05-12 | — | — | US | disclosed |
| US-5677451-A | CONTROLLING CELL DIFFERENTIATION; SKIN DISORDERS; ANTICANCER AGENTS | ALLERGAN (US) | 1997-10-14 | — | — | US | disclosed |