Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.40 |
| ▸ | ITGA5 | P08648 | 2/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.38 |
| ▸ | ITGAV | P06756 | 1/20 | 0.38 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL106905 | 0.83 | TAAR1 (0.52) | TAAR1SLC6A2 | |
| SCHEMBL5800607 | 0.83 | ACACB (0.44) | LMNAFAAH | |
| SCHEMBL5971811 | 0.81 | TRPA1 (0.50) | LMNACYP3A4 | |
| SCHEMBL15568884 | 0.81 | TBXAS1 (0.51) | NPC1RAB9AITGB1ITGA5SOAT1 | |
| SCHEMBL22937469 | 0.81 | EPHX1 (0.50) | NPC1RAB9AITGB1ITGA5EPHX1 | |
| SCHEMBL13545160 | 0.81 | HPGD (0.54) | NPC1RAB9ACYP1A2CYP3A4TAAR1 | |
| SCHEMBL15160672 | 0.81 | NPC1 (0.45) | NPC1RAB9AITGB1ITGA5EPHX1 | |
| SCHEMBL15134805 | 0.81 | NPC1 (0.45) | NPC1RAB9AITGB1ITGA5EPHX1 | |
| SCHEMBL31112245 | 0.81 | HPGD (0.54) | NPC1RAB9ACYP1A2CYP3A4TAAR1 | |
| SCHEMBL12200630 | 0.81 | TBXAS1 (0.51) | NPC1RAB9AITGB1ITGA5SOAT1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000015625-A2 | METHODS OF MAKING DIHYDROPYRONE HIV PROTEASE INHIBITORS | WARNER-LAMBERT COMPANY (US) | 2000-03-23 | — | — | WO | disclosed |