Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11079034 | 0.88 | OPRM1 (0.40) | OPRM1OPRD1NPSR1HSP90AA1PKM | |
| SCHEMBL9480487 | 0.82 | NPSR1 (0.42) | NPSR1HSP90AA1MEN1KMT2AALDH1A1 | |
| SCHEMBL9482257 | 0.80 | MEN1 (0.34) | MEN1KMT2AALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL9480900 | 0.79 | CYP3A4 (0.40) | PKMMEN1KMT2AALDH1A1CYP1A2 | |
| SCHEMBL11449594 | 0.78 | TBXAS1 (0.44) | MEN1KMT2APOLB | |
| Alcohol SCHEMBL27859648 | 0.76 | CYP3A4 (0.39) | PKMMEN1KMT2AALDH1A1CYP3A4 | |
| SCHEMBL10833284 | 0.76 | CYP3A4 (0.39) | PKMCYP3A4POLB | |
| SCHEMBL10970547 | 0.75 | POLB (0.50) | PKMMEN1KMT2AALDH1A1CYP3A4 | |
| SCHEMBL10969657 | 0.75 | CYP19A1 (0.38) | OPRM1OPRD1NPSR1HSP90AA1PKM | |
| SCHEMBL10972434 | 0.75 | CYP19A1 (0.43) | HSP90AA1KMT2AALDH1A1CYP1A2CYP3A4 |
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-5192783-A | Fungicides for plants | ROHM AND HAAS COMPANY (US) | 1993-03-09 | — | — | US | disclosed |