Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | XDH | P47989 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | PTGIR | P43119 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6558248 | 0.88 | ALDH1A1 (0.44) | ALDH1A1TDP1MAOAMAOBCYP2A6 | |
| SCHEMBL6557103 | 0.83 | ALDH1A1 (0.37) | ALDH1A1RAB9ASMN1; SMN2KDM4EAPP | |
| SCHEMBL6557408 | 0.82 | ALDH1A1 (0.45) | ALDH1A1NPC1RAB9AMAOAMAOB | |
| SCHEMBL6255853 | 0.80 | NPC1 (0.52) | ALDH1A1NPC1RAB9ATDP1HTR2C | |
| SCHEMBL2281435 | 0.71 | ALDH1A1 (0.42) | ALDH1A1TDP1MAOAMAOBSMN1; SMN2 | |
| SCHEMBL4800339 | 0.70 | NPC1 (0.50) | ALDH1A1NPC1RAB9ATDP1CYP2A6 | |
| SCHEMBL194639 | 0.70 | KDM1A (0.50) | ALDH1A1HTR2CPOLBMEN1KMT2A | |
| SCHEMBL6159034 | 0.69 | SRC (0.42) | ALDH1A1NPC1RAB9ATDP1MAOA | |
| SCHEMBL2532959 | 0.68 | SLC5A2 (0.50) | NPC1RAB9ATDP1HTR2CATM | |
| SCHEMBL1680858 | 0.68 | MEN1 (0.40) | NPC1RAB9AHTR2CMAOAMAOB |
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 |