Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 7/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7384247 | 1.00 | KMT2A (0.59) | KMT2ASIGMAR1OPRK1NPC1CYP1A2 | |
| SCHEMBL11687083 | 0.86 | KMT2A (0.68) | KMT2ASIGMAR1OPRK1NPC1CYP1A2 | |
| SCHEMBL16117817 | 0.81 | OPRK1 (0.60) | KMT2ASIGMAR1OPRK1NPC1CYP3A4 | |
| SCHEMBL5448229 | 0.79 | KMT2A (0.58) | KMT2ASIGMAR1OPRK1CYP3A4CYP2D6 | |
| SCHEMBL5448233 | 0.79 | KMT2A (0.58) | KMT2ASIGMAR1OPRK1CYP3A4CYP2D6 | |
| SCHEMBL24095117 | 0.75 | KMT2A (0.73) | KMT2ASIGMAR1OPRK1NPC1CYP1A2 | |
| SCHEMBL13504125 | 0.74 | KMT2A (0.68) | KMT2ASIGMAR1OPRK1NPC1CYP1A2 | |
| Hydrochloric Acid SCHEMBL7625422 | 0.72 | KMT2A (0.69) | KMT2ASIGMAR1OPRK1CYP1A2CYP2D6 | |
| SCHEMBL7379985 | 0.72 | SIGMAR1 (0.63) | SIGMAR1CYP1A2CYP2D6TMEM97 | |
| SCHEMBL7379983 | 0.72 | SIGMAR1 (0.63) | SIGMAR1CYP1A2CYP2D6TMEM97 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5409929-A | Treating psychosis, dyskinesia | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-04-25 | — | — | US | disclosed |
| WO-1993016047-A1 | HYDROISOINDOLINES AND HYDROISOQUINOLINES AS PSYCHOTROPIC DRUGS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-08-19 | — | — | WO | disclosed |
| US-5216018-A | Antidyskinetic agents | DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-06-01 | — | — | US | disclosed |