Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.42 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.42 |
| ▸ | TACR1 | P25103 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4075834 | 0.84 | LMNA (0.46) | L3MBTL1KMT2ANPC1GAATPSAB1 | |
| SCHEMBL4079701 | 0.82 | SMN1; SMN2 (0.65) | SMN1; SMN2ALDH1A1KMT2ATP53NPC1 | |
| SCHEMBL11863114 | 0.78 | SMN1; SMN2 (0.57) | SMN1; SMN2ALDH1A1PLA2G1BHTTL3MBTL1 | |
| SCHEMBL4079697 | 0.77 | SMN1; SMN2 (0.75) | SMN1; SMN2ALDH1A1PLA2G1BHTTL3MBTL1 | |
| SCHEMBL6646248 | 0.74 | HPGD (0.68) | SMN1; SMN2ALDH1A1HTTL3MBTL1KMT2A | |
| SCHEMBL21183496 | 0.73 | SMN1; SMN2 (0.52) | SMN1; SMN2ALDH1A1KMT2ATP53NPC1 | |
| SCHEMBL17372428 | 0.72 | KMT2A (0.58) | SMN1; SMN2ALDH1A1PLA2G1BHTTL3MBTL1 | |
| SCHEMBL1385665 | 0.72 | NPC1 (0.61) | SMN1; SMN2ALDH1A1PLA2G1BHTTL3MBTL1 | |
| SCHEMBL4074090 | 0.71 | P2RX7 (0.40) | ALDH1A1HTTL3MBTL1KMT2ATP53 | |
| SCHEMBL2856257 | 0.70 | NPC1 (0.50) | SMN1; SMN2ALDH1A1PLA2G1BHTTL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1745010-B1 | SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2009-08-05 | — | — | EP | claimed |