Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.36 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 3/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10060475 | 0.83 | ALDH1A1 (0.40) | ALDH1A1GAAMAPTCA12CA1 | |
| SCHEMBL105259 | 0.82 | ALDH1A1 (0.50) | ALDH1A1KDM4ELMNAGAAMAPT | |
| SCHEMBL1319533 | 0.80 | ENPP2 (0.54) | LMNAAKR1C3AKR1C2 | |
| SCHEMBL13264889 | 0.80 | ENPP2 (0.54) | LMNAAKR1C3AKR1C2 | |
| SCHEMBL10863214 | 0.80 | LMNA (0.50) | NR1I2NOS3NOS1ALDH1A1UGT2B7 | |
| SCHEMBL28575526 | 0.78 | ALDH1A1 (0.60) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL8464838 | 0.78 | NR1I2 (0.45) | NR1I2NOS3NOS1ALDH1A1UGT2B7 | |
| SCHEMBL2646217 | 0.77 | ENPP2 (0.56) | ALDH1A1KDM4ELMNAGAAMAPT | |
| SCHEMBL30026174 | 0.77 | PSIP1 (0.50) | NR1I2NOS3NOS1ALDH1A1KDM4E | |
| SCHEMBL10060466 | 0.77 | CA12 (0.46) | LMNAMAPTCA12CA1CA2 |
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 |