Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | GABRP | O00591 | 1/20 | 0.53 |
| ▸ | GABRD | O14764 | 1/20 | 0.53 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.53 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.53 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.53 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.53 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.53 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.53 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.53 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.53 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.53 |
| ▸ | GABRE | P78334 | 1/20 | 0.53 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.53 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.53 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.53 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.53 |
| ▸ | CCKAR | P32238 | 8/20 | 0.51 |
| ▸ | CCKBR | P32239 | 8/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL8795033 | 0.99 | ALDH1A1 (0.59) | ALDH1A1GABRPGABRDGABRA1GABRB1 | |
| Bromide SCHEMBL8795037 | 0.99 | ALDH1A1 (0.59) | ALDH1A1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL8795883 | 0.88 | ALDH1A1 (0.58) | ALDH1A1CCKARCCKBRHDAC3HDAC1 | |
| SCHEMBL8796363 | 0.88 | ALDH1A1 (0.62) | ALDH1A1CCKARCCKBR | |
| Bromide SCHEMBL8795194 | 0.87 | ALDH1A1 (0.61) | ALDH1A1CCKARCCKBR | |
| SCHEMBL9573635 | 0.87 | GABRP (0.56) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL9573630 | 0.85 | GABRP (0.54) | ALDH1A1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL9866449 | 0.83 | CCKBR (0.61) | ALDH1A1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL9867425 | 0.83 | CCKBR (0.61) | ALDH1A1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL9867431 | 0.83 | CCKBR (0.61) | ALDH1A1GABRPGABRDGABRA1GABRB1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0755394-A1 | A METHOD OF INDUCING CHOLECYSTOKININ AGONIST ACTIVITY USING 1,4-BENZODIAZEPINE COMPOUNDS | GLAXO WELLCOME INC. (US) | 1997-01-29 | — | — | EP | disclosed |
| WO-1995028399-A1 | A METHOD OF INDUCING CHOLECYSTOKININ AGONIST ACTIVITY USING 1,4-BENZODIAZEPINE COMPOUNDS | GLAXO WELLCOME INC. (US) | 1995-10-26 | — | — | WO | disclosed |