Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SYK | P43405 | 1/20 | 0.31 |
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL5166521 | 0.71 | OPRL1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL5165834 | 0.70 | OPRL1 (0.47) | — | |
| SCHEMBL5164608 | 0.69 | SLC6A4 (0.43) | ROCK2SLC6A2SLC6A4SLC6A3MEN1 | |
| Hydrochloric Acid SCHEMBL5164868 | 0.68 | SLC6A4 (0.42) | ROCK2SLC6A2SLC6A4SLC6A3MEN1 | |
| Hydrochloric Acid SCHEMBL5168070 | 0.66 | LMNA (0.43) | MEN1KMT2ANPC1RAB9AGAA | |
| SCHEMBL516361 | 0.63 | LMNA (0.57) | MEN1KMT2ANPC1RAB9AKDM4E | |
| SCHEMBL312838 | 0.62 | ALDH1A1 (0.60) | NPC1RAB9AALDH1A1 | |
| SCHEMBL2656510 | 0.61 | CYP2A6 (0.46) | MEN1KMT2AHTR2CHTR2ANPC1 | |
| SCHEMBL29256183 | 0.61 | ALDH1A1 (0.50) | ROCK2MEN1KMT2ACYP2D6NPC1 | |
| SCHEMBL29472298 | 0.61 | CYP2A6 (0.46) | MEN1KMT2AHTR2CHTR2ANPC1 |
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-1392641-B1 | SUBSTITUTED CYCLOHEXANE-1,4-DIAMINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2007-04-11 | — | — | EP | disclosed |