Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PRKDC | P78527 | 2/20 | 0.30 |
| ▸ | ATM | Q13315 | 2/20 | 0.30 |
| ▸ | ATR | Q13535 | 2/20 | 0.30 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.30 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
| ▸ | MMP13 | P45452 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15687372 | 0.85 | ENPP2 (0.43) | ALDH1A1AKR1C3AKR1C2LMNA | |
| SCHEMBL23536615 | 0.79 | ALDH1A1 (0.50) | ALDH1A1KDM4ELMNAGAAMAPT | |
| SCHEMBL17789740 | 0.79 | ALDH1A1 (0.41) | ALDH1A1GAAMAPT | |
| SCHEMBL8551002 | 0.77 | ADRB2 (0.43) | ALDH1A1 | |
| SCHEMBL3923775 | 0.77 | ALDH1A1 (0.39) | ALDH1A1AKR1C3LMNAGAA | |
| SCHEMBL18504414 | 0.77 | ALDH1A1 (0.39) | ALDH1A1MMP1MMP13 | |
| SCHEMBL2303018 | 0.77 | ALDH1A1 (0.39) | ALDH1A1MMP1MMP13 | |
| SCHEMBL10060475 | 0.77 | ALDH1A1 (0.40) | ALDH1A1GAAMAPTTXNRD1MMP1 | |
| SCHEMBL7688541 | 0.76 | ALDH1A1 (0.42) | ALDH1A1KDM4ELMNAMAPT | |
| SCHEMBL8241125 | 0.76 | ALDH1A1 (0.42) | ALDH1A1KDM4ELMNAMAPT |
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-2007114902-A2 | ALKYLTHIOBENZYLPIPERIDINE COMPOUNDS | H.LUNDBECK A/S (DK) | 2007-10-11 | — | — | WO | disclosed |