Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.39 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.37 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.37 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.37 |
| ▸ | PTGES | O14684 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.36 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6817338 | 0.86 | USP2 (0.42) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL7617471 | 0.85 | AKR1B1 (0.41) | ALDH1A1AKR1B1SRD5A1SRD5A2HSD11B1 | |
| SCHEMBL6818122 | 0.84 | ALDH1A1 (0.46) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL6822654 | 0.83 | ALDH1A1 (0.42) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL6817588 | 0.82 | LMNA (0.41) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL6817608 | 0.82 | ALDH1A1 (0.41) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL6817240 | 0.82 | ALDH1A1 (0.44) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL6817671 | 0.82 | ALDH1A1 (0.41) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL6818072 | 0.80 | USP2 (0.48) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL6817244 | 0.79 | LMNA (0.40) | ALDH1A1USP2LMNACYP1A2TSHR |
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-1180094-B1 | FUSED POLYCYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS | WARNER LAMBERT CO (US) | 2004-07-28 | — | — | EP | claimed |
| WO-2007090661-A2 | ACTIVE SUBSTANCE COMBINATION COMPRISING AZOLYLCARBINOL COMPOUNDS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-08-16 | — | — | WO | disclosed |
| EP-1180094-B1 | FUSED POLYCYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS | WARNER LAMBERT CO (US) | 2004-07-28 | — | — | EP | disclosed |