Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HTR1E | P28566 | 1/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.38 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL6004078 | 0.88 | PKM (0.47) | ALDH1A1PKMMEN1KMT2ACTDSP1 | |
| SCHEMBL11854679 | 0.82 | MEN1 (0.48) | PKMMEN1KMT2ACTDSP1KDM4E | |
| SCHEMBL6912199 | 0.81 | SLC6A2 (0.47) | ALDH1A1MEN1KMT2ACYP3A4ENPP3 | |
| SCHEMBL6915832 | 0.81 | SLC6A2 (0.47) | ALDH1A1MEN1KMT2ACYP3A4ENPP3 | |
| SCHEMBL6912193 | 0.81 | SLC6A2 (0.47) | ALDH1A1MEN1KMT2ACYP3A4ENPP3 | |
| SCHEMBL9413690 | 0.80 | MEN1 (0.40) | ALDH1A1PKMMEN1KMT2AKDM4E | |
| SCHEMBL4432214 | 0.79 | CA12 (0.46) | ALDH1A1PKMMEN1KMT2ACYP3A4 | |
| SCHEMBL8921656 | 0.79 | CYP2D6 (0.47) | ALDH1A1PKMMEN1KMT2ACTDSP1 | |
| SCHEMBL25403099 | 0.78 | ALDH1A1 (0.45) | ALDH1A1PKMMEN1KMT2ACYP3A4 | |
| SCHEMBL11059576 | 0.77 | ALDH1A1 (0.46) | ALDH1A1PKMKDM4ETSHRCYP3A4 |
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-5643904-A | Substituted hexahdryoazepinones and tetrahydrobenzazepinones | PFIZER INC. (US) | 1997-07-01 | — | — | US | disclosed |
| US-5484917-A | FOR TREATMENT AND PREVENTION OF GASTROINTESTINAL DISORDERS, PAIN AND ANXIETY | PFIZER INC. (US) | 1996-01-16 | — | — | US | disclosed |
| EP-0625145-A1 | 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS | PFIZER INC. (US) | 1994-11-23 | — | — | EP | disclosed |
| WO-1993015059-A1 | 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS | PFIZER INC. (US) | 1993-08-05 | — | — | WO | disclosed |