Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM1A | O60341 | 4/20 | 0.34 |
| ▸ | RCOR1 | Q9UKL0 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.30 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.30 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6558265 | 0.88 | ALDH1A1 (0.38) | ALDH1A1MAOAMAOBCYP2A6MEN1 | |
| SCHEMBL6557103 | 0.87 | ALDH1A1 (0.37) | ALDH1A1MEN1KMT2A | |
| SCHEMBL6557408 | 0.87 | ALDH1A1 (0.45) | ALDH1A1KDM1ARCOR1MAOAMAOB | |
| SCHEMBL1680858 | 0.79 | MEN1 (0.40) | MAOAMAOBMEN1KMT2A | |
| SCHEMBL2281435 | 0.77 | ALDH1A1 (0.42) | ALDH1A1MAOAMAOBCYP2A6MEN1 | |
| SCHEMBL1681164 | 0.76 | ALDH1A1 (0.52) | ALDH1A1MAOAMAOBHDAC4CYP2A6 | |
| SCHEMBL31618073 | 0.76 | ALDH1A1 (0.52) | ALDH1A1MAOAMAOBHDAC4CYP2A6 | |
| SCHEMBL194639 | 0.76 | KDM1A (0.50) | ALDH1A1KDM1ARCOR1HDAC4MEN1 | |
| SCHEMBL6196036 | 0.72 | DRD2 (0.42) | ALDH1A1MAOAMAOBCYP2A6MEN1 | |
| SCHEMBL29995306 | 0.72 | DRD2 (0.42) | ALDH1A1MAOAMAOBCYP2A6MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1392643-A2 | TRISUBSTITUTED-N- (1S)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL] BENZAMIDES WHICH INHIBIT P2X3 AND P2X2/3 CONTAINING RECEPTORS | Abbott Laboratories (US) | 2004-03-03 | — | — | EP | disclosed |
| WO-2002094767-A2 | TRISUBSTITUTED-N-[(1S)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL] BENZAMIDES WHICH INHIBIT P2X3 AND P2X2/3 CONTAINING RECEPTORS | ABBOTT LABORATORIES (US) | 2002-11-28 | — | — | WO | disclosed |