Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | CCKAR | P32238 | 12/20 | 0.45 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.44 |
| ▸ | CCKBR | P32239 | 9/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8703893 | 0.79 | ALDH1A1 (0.57) | ALDH1A1CCKARCCKBR | |
| SCHEMBL8795637 | 0.75 | ALDH1A1 (0.66) | ALDH1A1CCKARCCKBRSMN1; SMN2LMNA | |
| SCHEMBL8796363 | 0.73 | ALDH1A1 (0.62) | ALDH1A1CCKARCCKBRSMN1; SMN2LMNA | |
| Bromide SCHEMBL8795194 | 0.72 | ALDH1A1 (0.61) | ALDH1A1CCKARCCKBR | |
| SCHEMBL5107544 | 0.71 | ALDH1A1 (0.52) | ALDH1A1CCKARCCKBR | |
| SCHEMBL5103627 | 0.71 | CCKAR (0.65) | ALDH1A1CCKARCCKBR | |
| SCHEMBL8807834 | 0.70 | CCKAR (0.58) | ALDH1A1CCKARCCKBR | |
| SCHEMBL6300214 | 0.70 | GABRG2 (0.47) | ALDH1A1GABRG2GABRB3GABRA5CCKBR | |
| SCHEMBL8794107 | 0.69 | KDM4E (0.57) | ALDH1A1CCKARCCKBRSMN1; SMN2TP53 | |
| SCHEMBL8093477 | 0.68 | ALDH1A1 (0.61) | ALDH1A1CCKARCCKBRSMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-5795887-A | Method of inducing cholecystokinin agonist activity using 1,4- Benzodiazepine compounds | GLAXO WELLCOME INC. (US) | 1998-08-18 | — | — | US | disclosed |
| 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 |