Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 8/20 | 0.77 |
| ▸ | GABRA5 | P31644 | 8/20 | 0.77 |
| ▸ | GABRA2 | P47869 | 8/20 | 0.77 |
| ▸ | GABRB2 | P47870 | 7/20 | 0.77 |
| ▸ | GABRA3 | P34903 | 6/20 | 0.77 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.72 |
| ▸ | HPGD | P15428 | 3/20 | 0.72 |
| ▸ | BRD4 | O60885 | 2/20 | 0.72 |
| ▸ | LMNA | P02545 | 2/20 | 0.72 |
| ▸ | CNR1 | P21554 | 1/20 | 0.72 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.71 |
| ▸ | HTR2A | P28223 | 1/20 | 0.71 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.71 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.71 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | PTAFR | P25105 | 4/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL11720129 | 0.87 | GABRA1 (0.59) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL11624016 | 0.87 | GABRA1 (1.00) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL11861962 | 0.87 | TDP1 (0.69) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL29385106 | 0.87 | GABRA1 (1.00) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL11830564 | 0.86 | OPRK1 (0.59) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL11623879 | 0.85 | GABRA1 (0.74) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL19006770 | 0.84 | GABRA1 (0.55) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL7434779 | 0.84 | OPRK1 (0.74) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL11618403 | 0.84 | GABRA1 (0.72) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL11605914 | 0.84 | GABRA1 (0.58) | GABRA1GABRA5GABRA2GABRB2GABRA3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4075221-A | ALKYLATION WITH DIALKYLMETHYLENEAMMONIUM SALT IN PRESENCE OF REACTIVE CARBOXYLIC ACYLATING AGENT | THE UPJOHN COMPANY (US) | 1978-02-21 | — | — | US | disclosed |
| US-4044016-A | ANTICONVULSANTS, SEDATIVES, MUSCLE RELAXANTS | HOFFMANN-LA ROCHE INC. (US) | 1977-08-23 | — | — | US | disclosed |
| US-3970664-A | ANTICONVULSANT, MUSCLE RELAXANT, SEDATIVE | HOFFMANN-LA ROCHE INC. (US) | 1976-07-20 | — | — | US | disclosed |
| US-3954728-A | ANTICONVULSANTS, MUSCLE RELAXANTS, SEDATIVES | HOFFMAN-LA ROCHE INC. (US) | 1976-05-04 | — | — | US | disclosed |