Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 4/20 | 0.52 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.52 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.40 |
| ▸ | KCNT1 | Q5JUK3 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL221681 | 0.85 | OPRM1 (0.69) | OPRM1OPRK1OPRD1HDAC1HDAC6 | |
| SCHEMBL221389 | 0.83 | OPRM1 (0.61) | OPRM1OPRK1OPRD1HDAC1HDAC6 | |
| SCHEMBL4965646 | 0.76 | OPRM1 (0.41) | OPRM1OPRK1OPRD1HDAC1CYP2C19 | |
| SCHEMBL3883149 | 0.75 | HDAC6 (0.47) | OPRM1OPRK1OPRD1HDAC1HDAC6 | |
| Hydrochloric Acid SCHEMBL4965277 | 0.75 | OPRM1 (0.41) | OPRM1OPRK1OPRD1HDAC1CYP2C19 | |
| SCHEMBL16494522 | 0.73 | NPC1 (0.61) | HDAC1HDAC6ADRB3ACHEALOX5 | |
| SCHEMBL16494238 | 0.72 | ACHE (0.58) | HDAC1HDAC6ADRB3ACHEALOX5 | |
| SCHEMBL29260533 | 0.72 | MTNR1A (0.41) | HDAC1HDAC6ACHEALOX5EPHX2 | |
| SCHEMBL16494808 | 0.71 | ACHE (0.62) | ADRB3ACHEALOX5EPHX2ADRB2 | |
| SCHEMBL21224602 | 0.71 | HDAC1 (0.53) | HDAC1HDAC6ACHEHDAC8HDAC3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1751103-B1 | 4-(5-(AMINOMETHYL)-INDOLE-1-YLMETHYL)-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS OPIOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY | LILLY CO ELI (US) | 2009-01-14 | — | — | EP | claimed |