Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCKBR | P32239 | 6/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8903006 | 1.00 | CCKBR (0.52) | CCKBRKDM4EMAPTNPC1RAB9A | |
| SCHEMBL8903170 | 1.00 | CCKBR (0.52) | CCKBRKDM4EMAPTNPC1RAB9A | |
| SCHEMBL8904475 | 0.87 | MEN1 (0.47) | KDM4EMAPTNPC1RAB9ALMNA | |
| SCHEMBL8904470 | 0.87 | MEN1 (0.47) | KDM4EMAPTNPC1RAB9ALMNA | |
| SCHEMBL8904208 | 0.87 | MAPT (0.53) | CCKBRMAPTNPC1RAB9AHTT | |
| SCHEMBL8904435 | 0.87 | MAPT (0.53) | CCKBRMAPTNPC1RAB9AHTT | |
| SCHEMBL8904206 | 0.87 | MAPT (0.53) | CCKBRMAPTNPC1RAB9AHTT | |
| SCHEMBL8904995 | 0.81 | CCKBR (0.49) | CCKBRMAPTNPC1RAB9ALMNA | |
| SCHEMBL8904998 | 0.81 | CCKBR (0.49) | CCKBRMAPTNPC1RAB9ALMNA | |
| SCHEMBL8136446 | 0.79 | HSD17B10 (0.46) | KDM4EMAPTNPC1RAB9AHTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5618808-A | Benzothiazepine and benzoxazepine derivatives as cholecystokinin receptor antagonists | PFIZER, INC. (US) | 1997-04-08 | — | — | US | disclosed |