Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.51 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.51 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.49 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.44 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.44 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | FPR2 | P25090 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9299009 | 1.00 | KEAP1 (0.51) | KEAP1NFE2L2MDM2S1PR3S1PR4 | |
| SCHEMBL7584703 | 0.85 | NPC1 (0.53) | KEAP1NFE2L2S1PR3S1PR4NPC1 | |
| SCHEMBL5882952 | 0.83 | S1PR3 (0.51) | KEAP1NFE2L2MDM2S1PR3S1PR4 | |
| SCHEMBL11301777 | 0.82 | CA12 (0.45) | MEN1KMT2AFPR2CYP3A4CYP2D6 | |
| SCHEMBL5883122 | 0.82 | F7 (0.57) | MDM2S1PR3S1PR4S1PR1S1PR5 | |
| SCHEMBL2484594 | 0.81 | CNR1 (0.53) | MDM2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL9298520 | 0.81 | CNR1 (0.53) | MDM2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL11211222 | 0.81 | MEN1 (0.55) | KEAP1NFE2L2NPC1RAB9AMEN1 | |
| SCHEMBL9298095 | 0.81 | KEAP1 (0.52) | KEAP1NFE2L2S1PR3S1PR4S1PR1 | |
| SCHEMBL9298091 | 0.81 | KEAP1 (0.52) | KEAP1NFE2L2S1PR3S1PR4S1PR1 |
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-5374656-A | Nervous system disorders, gastrointestinal disorders | RHONE-POULENC RORER, S.A. (FR) | 1994-12-20 | — | — | US | disclosed |