Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8992651 | 0.84 | RAB9A (0.47) | ALDH1A1TDP1L3MBTL1RAB9AKMT2A | |
| SCHEMBL8129548 | 0.82 | RAB9A (0.45) | ALDH1A1TDP1L3MBTL1RAB9AKMT2A | |
| SCHEMBL8472195 | 0.80 | NPY5R (0.59) | ALDH1A1TDP1RAB9AKMT2AGAA | |
| SCHEMBL8903055 | 0.77 | RAB9A (0.42) | ALDH1A1TDP1L3MBTL1RAB9AKMT2A | |
| SCHEMBL8992582 | 0.77 | RAB9A (0.58) | ALDH1A1TDP1MAPK1RAB9AKMT2A | |
| SCHEMBL7369520 | 0.75 | ALDH1A1 (0.39) | ALDH1A1TDP1CYP3A4TSHRMAPK1 | |
| SCHEMBL8663889 | 0.75 | ACE (0.49) | MAPK1 | |
| SCHEMBL7363786 | 0.74 | TSHR (0.41) | ALDH1A1TDP1CYP3A4TSHRMAPK1 | |
| SCHEMBL18969810 | 0.73 | TDP1 (0.72) | ALDH1A1TDP1CYP3A4TSHRMAPK1 | |
| SCHEMBL11416620 | 0.72 | TSHR (0.78) | ALDH1A1TDP1CYP3A4TSHRMAPK1 |
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-0719251-A1 | BICYCLO (2.2.2) OCTANE DERIVATIVES CHOLECYSTOKININ AND/OR GASTRIN ANTAGONISTS | JAMES BLACK FOUNDATION LIMITED (GB) | 1996-07-03 | — | — | EP | disclosed |
| WO-1995005359-A1 | BICYCLO (2.2.2) OCTANE DERIVATIVES CHOLECYSTOKININ AND/OR GASTRIN ANTAGONISTS | JAMES BLACK FOUNDATION LIMITED (GB) | 1995-02-23 | — | — | WO | disclosed |