Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | GLA | P06280 | 2/20 | 0.47 |
| ▸ | CASP1 | P29466 | 2/20 | 0.47 |
| ▸ | CASP7 | P55210 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | NQO2 | P16083 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28261497 | 0.77 | ALDH1A1 (0.50) | BACE1KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL27999697 | 0.74 | ALDH1A1 (0.52) | BACE1KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL462847 | 0.74 | ALDH1A1 (0.52) | BACE1KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL29447182 | 0.74 | ALDH1A1 (0.52) | BACE1KDM4EALDH1A1HPGDHSD17B10 | |
| Bicarbonate SCHEMBL28314157 | 0.74 | ALDH1A1 (0.58) | KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2 | |
| Bicarbonate SCHEMBL28191576 | 0.73 | ALDH1A1 (0.56) | KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2 | |
| Carbamic Acid SCHEMBL28284029 | 0.73 | ALDH1A1 (0.56) | KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2 | |
| Bicarbonate SCHEMBL28191578 | 0.73 | ALDH1A1 (0.56) | KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2 | |
| SCHEMBL11763409 | 0.73 | ELANE (0.46) | KDM4EALDH1A1HPGDSMN1; SMN2ELANE | |
| Bromide SCHEMBL7244276 | 0.73 | ALDH1A1 (0.50) | BACE1KDM4EALDH1A1HPGDHSD17B10 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4002610-A | 2-Aminobenzodiazepine-5-ones | MCNEIL LABORATORIES, INCORPORATED (US) | 1977-01-11 | — | — | US | claimed |
| US-4031079-A | Intermediates for 2-aminobenzodiazepine-5-ones | MCNEIL LABORATORIES, INCORPORATED (US) | 1977-06-21 | — | — | US | disclosed |
| US-4031079-A | Intermediates for 2-aminobenzodiazepine-5-ones | MCNEIL LABORATORIES, INCORPORATED (US) | 1977-06-21 | — | — | US | disclosed |
| US-4022767-A | 2-Aminobenzodiazepine-5-ones | MCNEIL LABORATORIES, INCORPORATED (US) | 1977-05-10 | — | — | US | disclosed |
| US-4022767-A | 2-Aminobenzodiazepine-5-ones | MCNEIL LABORATORIES, INCORPORATED (US) | 1977-05-10 | — | — | US | disclosed |
| US-4020055-A | Intermediates for 2-aminobenzodiazepine-5-ones | MCNEIL LABORATORIES, INCORPORATED (US) | 1977-04-26 | — | — | US | disclosed |
| US-4020055-A | Intermediates for 2-aminobenzodiazepine-5-ones | MCNEIL LABORATORIES, INCORPORATED (US) | 1977-04-26 | — | — | US | disclosed |
| US-4002610-A | 2-Aminobenzodiazepine-5-ones | MCNEIL LABORATORIES, INCORPORATED (US) | 1977-01-11 | — | — | US | disclosed |
| US-4002610-A | 2-Aminobenzodiazepine-5-ones | MCNEIL LABORATORIES, INCORPORATED (US) | 1977-01-11 | — | — | US | disclosed |