Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MET | P08581 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | NOS1 | P29475 | 2/20 | 0.36 |
| ▸ | NOS2 | P35228 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30292229 | 0.80 | ELANE (0.39) | MAPTLMNAELANELCKEGFR | |
| SCHEMBL29510797 | 0.80 | CREBBP (0.44) | ALDH1A1METMAPTLMNANPSR1 | |
| SCHEMBL2481191 | 0.80 | CREBBP (0.44) | ALDH1A1METMAPTLMNANPSR1 | |
| SCHEMBL25287629 | 0.79 | ELANE (0.41) | MEN1KMT2ACYP1A2CYP2C19HTT | |
| SCHEMBL30556604 | 0.79 | ROCK2 (0.42) | LMNAMEN1KMT2AELANEEGFR | |
| SCHEMBL8708836 | 0.79 | ELANE (0.38) | ELANEEGFRITK | |
| SCHEMBL30438541 | 0.79 | CYP11B1 (0.43) | THRBELANEEGFRITK | |
| SCHEMBL21054987 | 0.77 | ACLY (0.44) | ALDH1A1METMAPTLMNANPSR1 | |
| SCHEMBL15502414 | 0.76 | POLB (0.41) | ALDH1A1METMAPTLMNANPSR1 | |
| SCHEMBL15719632 | 0.76 | TDP1 (0.36) | ALDH1A1METMAPTLMNANPSR1 |
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 |