Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | INMT | O95050 | 2/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | BRD2 | P25440 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | CDK4 | P11802 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9440269 | 0.87 | HRH3 (0.35) | PIK3CDTSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL9440178 | 0.81 | MEN1 (0.50) | PIK3CDTSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL9694395 | 0.81 | KEAP1 (0.34) | TSHRCYP2D6 | |
| SCHEMBL24379816 | 0.79 | PIK3CD (0.34) | PIK3CDKMT2ABRD4BRD2 | |
| SCHEMBL9440188 | 0.78 | ALOX5 (0.46) | MEN1KMT2AALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL9440237 | 0.74 | MEN1 (0.48) | TSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL3927801 | 0.74 | — | — | |
| SCHEMBL9440179 | 0.73 | MEN1 (0.47) | TSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL2641271 | 0.72 | — | — | |
| SCHEMBL4143578 | 0.71 | MEN1 (0.42) | MEN1KMT2AALDH1A1CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1994017083-A1 | COORDINATION COMPLEXES, PREPARATION AND USE | IMPERIAL COLLEGE OF SCIENCE, TECHNOLOGY & MEDICINE (GB) | 1994-08-04 | — | — | WO | disclosed |