Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | THRB | P10828 | 2/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | NSD2 | O96028 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8124394 | 0.86 | BCHE (0.51) | BRD4HTR4CYP1A2CYP2C9ALOX15 | |
| SCHEMBL8128414 | 0.81 | ADRB2 (0.39) | CYP1A2BCHEACHE | |
| SCHEMBL8130355 | 0.79 | HTR1B (0.52) | HTR6LMNA | |
| SCHEMBL8124373 | 0.77 | HTR6 (0.33) | HTR4CYP1A2CYP2C9ALOX15NFKB1 | |
| SCHEMBL9173485 | 0.71 | HTR4 (0.35) | BRD4HTR4CYP1A2CYP2C9ALOX15 | |
| SCHEMBL8119499 | 0.69 | BCHE (0.46) | BRD4BCHEACHEALDH1A1MEN1 | |
| SCHEMBL9268546 | 0.67 | DRD2 (0.44) | HTR6 | |
| Hydrochloric Acid SCHEMBL9265610 | 0.67 | HTR1D (0.59) | CYP1A2CYP2C9HTR6 | |
| SCHEMBL8119111 | 0.67 | BCHE (0.48) | BRD4BCHEACHEALDH1A1MAPT | |
| SCHEMBL8130052 | 0.65 | ACHE (0.50) | BCHEACHEALDH1A1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0610134-B1 | Indole derivatives as 5-HT1-like agonists | ADIR (FR) | 2000-04-05 | — | — | EP | disclosed |
| US-5348968-A | Migraines | ADIR ET COMPAGNIE (FR) | 1994-09-20 | — | — | US | disclosed |
| EP-0610134-A1 | Indole, indazole and benzisoxazole derivatives as 5-HT1-like agonists | ADIR ET COMPAGNIE (FR) | 1994-08-10 | — | — | EP | disclosed |