Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 2/20 | 0.57 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | CES2 | O00748 | 2/20 | 0.56 |
| ▸ | CES1 | P23141 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 4/20 | 0.50 |
| ▸ | CA2 | P00918 | 4/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.44 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.44 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7253109 | 1.00 | CYP11B1 (0.57) | CYP11B1CYP11B2ALDH1A1RAB9AKMT2A | |
| SCHEMBL7377209 | 0.87 | CYP11B1 (0.57) | CYP11B1CYP11B2ALDH1A1RAB9AKMT2A | |
| SCHEMBL4291901 | 0.81 | RAB9A (0.48) | ALDH1A1RAB9AKMT2ASMN1; SMN2CES2 | |
| SCHEMBL4291907 | 0.81 | RAB9A (0.48) | ALDH1A1RAB9AKMT2ASMN1; SMN2CES2 | |
| SCHEMBL11389643 | 0.81 | CYP11B1 (0.51) | CYP11B1CYP11B2ALDH1A1RAB9AKMT2A | |
| SCHEMBL2733267 | 0.80 | CES2 (0.60) | ALDH1A1RAB9AKMT2ACES2CES1 | |
| SCHEMBL5904300 | 0.80 | CES2 (0.60) | CYP11B1CYP11B2ALDH1A1RAB9AKMT2A | |
| SCHEMBL5904302 | 0.80 | CES2 (0.60) | CYP11B1CYP11B2ALDH1A1RAB9AKMT2A | |
| SCHEMBL10997616 | 0.80 | CES2 (0.60) | CYP11B1CYP11B2ALDH1A1RAB9AKMT2A | |
| SCHEMBL2733268 | 0.80 | CES2 (0.60) | ALDH1A1RAB9AKMT2ACES2CES1 |
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-2003030909-A1 | 2- AND 4-AMINOPYRIMIDINES N-SUBSTTITUDED BY A BICYCLIC RING FOR USE AS KINASE INHIBITORS IN THE TREATMENT OF CANCER | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-04-17 | — | — | WO | disclosed |