Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.73 |
| ▸ | BCHE | P06276 | 1/20 | 0.73 |
| ▸ | MAOA | P21397 | 4/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.59 |
| ▸ | HPGD | P15428 | 3/20 | 0.59 |
| ▸ | MAOB | P27338 | 3/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.56 |
| ▸ | TDP2 | O95551 | 1/20 | 0.52 |
| ▸ | CASP3 | P42574 | 1/20 | 0.52 |
| ▸ | CASP7 | P55210 | 1/20 | 0.52 |
| ▸ | CASP9 | P55211 | 1/20 | 0.52 |
| ▸ | CASP6 | P55212 | 1/20 | 0.52 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.52 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL569873 | 1.00 | — | — | |
| SCHEMBL31070117 | 1.00 | — | — | |
| SCHEMBL3638469 | 0.95 | CES1 (0.67) | CES1BCHEMAOAALDH1A1KDM4E | |
| SCHEMBL31392106 | 0.95 | CES1 (0.67) | CES1BCHEMAOAALDH1A1KDM4E | |
| SCHEMBL29684343 | 0.90 | CES1 (0.67) | CES1BCHEMAOAALDH1A1KDM4E | |
| SCHEMBL29848510 | 0.90 | CES1 (0.67) | CES1BCHEMAOAALDH1A1KDM4E | |
| SCHEMBL976344 | 0.90 | CES1 (0.67) | CES1BCHEMAOAALDH1A1KDM4E | |
| SCHEMBL32671773 | 0.90 | CES1 (0.67) | CES1BCHEMAOAALDH1A1KDM4E | |
| SCHEMBL30398656 | 0.87 | CES1 (0.64) | CES1BCHEMAOAALDH1A1KDM4E | |
| Charcoal, Activated SCHEMBL30641846 | 0.87 | CES1 (0.64) | CES1BCHEMAOAALDH1A1KDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4000187-A | THERMAL STABILITY, COATINGS, CAST FILMS | UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) | 1976-12-28 | — | — | US | claimed |
| EP-0444142-B1 | POLYQUINOLINE COPOLYMERS | HITACHI CHEMICAL CO LTD (JP) | 2000-03-29 | — | — | EP | disclosed |
| US-5017677-A | Molding materials, laminates, adhesives, films and fibers | COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 1991-05-21 | — | — | US | disclosed |
| US-4000187-A | THERMAL STABILITY, COATINGS, CAST FILMS | UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) | 1976-12-28 | — | — | US | disclosed |