Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | AADAC | P22760 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17664223 | 0.90 | ATG4B (0.49) | PTPN1ALDH1A1CYP3A4LMNACYP1A2 | |
| SCHEMBL17664338 | 0.79 | DDT (0.53) | ALDH1A1CYP3A4LMNACYP1A2CYP2C19 | |
| SCHEMBL17664233 | 0.72 | MLYCD (0.53) | ALDH1A1CYP3A4LMNACYP1A2CYP2C19 | |
| SCHEMBL17664230 | 0.71 | LMNA (0.52) | ALDH1A1LMNAMAPTATG4BFBP1 | |
| SCHEMBL23447432 | 0.69 | MLYCD (0.58) | CYP3A4LMNACYP1A2CYP2C19SMN1; SMN2 | |
| SCHEMBL6119720 | 0.67 | CYP3A4 (0.60) | ARALDH1A1CYP3A4LMNACES2 | |
| SCHEMBL17664228 | 0.67 | CA12 (0.51) | PTPN1ARALDH1A1CYP3A4LMNA | |
| SCHEMBL16957012 | 0.67 | AR (0.49) | ARALDH1A1CYP3A4LMNACES2 | |
| SCHEMBL17664294 | 0.66 | AR (0.51) | ARALDH1A1CYP3A4LMNACES2 | |
| SCHEMBL11305513 | 0.66 | AR (0.51) | ARALDH1A1CYP3A4LMNACES2 |
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-2016049774-A1 | UREA AND BIS-UREA BASED COMPOUNDS AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF ANDROGEN RECEPTOR MEDIATED DISEASES OR DISORDERS | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2016-04-07 | — | — | WO | disclosed |