Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 6/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6813724 | 0.85 | AKR1B1 (0.44) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL7610937 | 0.83 | AKR1B1 (0.38) | ALDH1A1TSHRBLMHSD11B1AKR1B1 | |
| SCHEMBL6818099 | 0.79 | ALDH1A1 (0.46) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL6818122 | 0.79 | ALDH1A1 (0.46) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL6821612 | 0.79 | ALDH1A1 (0.46) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL6813653 | 0.76 | LMNA (0.42) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL6818053 | 0.76 | ALDH1A1 (0.42) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL6817438 | 0.76 | ALDH1A1 (0.42) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL6817658 | 0.76 | ALDH1A1 (0.42) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL6818072 | 0.75 | USP2 (0.48) | 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 |