Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10642762 | 0.82 | SLC18A3 (0.42) | CYP2C19CYP1A2MAPTCYP2D6TSHR | |
| SCHEMBL4075039 | 0.74 | TP53 (0.40) | CYP2C19CYP1A2CYP19A1TP53S1PR1 | |
| SCHEMBL1515154 | 0.73 | CYP11B2 (0.48) | CYP2C19CYP1A2CYP19A1TP53S1PR1 | |
| SCHEMBL6419399 | 0.73 | CYP11B2 (0.54) | CYP2C19CYP1A2CYP19A1TP53S1PR1 | |
| SCHEMBL1515255 | 0.73 | — | — | |
| SCHEMBL21078346 | 0.72 | CYP11B2 (0.40) | CYP2C19CYP1A2CYP19A1TP53S1PR1 | |
| SCHEMBL24556967 | 0.72 | CYP11B2 (0.57) | CYP2C19CYP1A2TP53S1PR1CYP11B2 | |
| SCHEMBL60634 | 0.72 | CYP11B2 (0.57) | CYP2C19CYP1A2TP53S1PR1CYP11B2 | |
| SCHEMBL24556963 | 0.72 | CYP11B2 (0.57) | CYP2C19CYP1A2TP53S1PR1CYP11B2 | |
| SCHEMBL24602720 | 0.72 | CYP11B2 (0.57) | CYP2C19CYP1A2TP53S1PR1CYP11B2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2331522-A2 | TETRAHYDROPYRIDINYL AND DIHYDROPYRROLYL COMPOUNDS AND THE USE THEREOF | Purdue Pharma LP (US) | 2011-06-15 | — | — | EP | disclosed |
| EP-2235010-A1 | BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS | AstraZeneca AB (SE) | 2010-10-06 | — | — | EP | disclosed |
| WO-2009081197-A1 | BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS | ASTRAZENECA AB (SE) | 2009-07-02 | — | — | WO | disclosed |