Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CD274 | Q9NZQ7 | 5/20 | 0.43 |
| ▸ | PDCD1 | Q15116 | 4/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL437991 | 0.88 | CYP3A4 (0.59) | CYP2D6MAPTCYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL13325700 | 0.79 | DYRK1A (0.45) | MAPTRAB9AMAOAMAOBKDM1A | |
| SCHEMBL4181991 | 0.79 | CYP2D6 (0.50) | CYP2D6MAPTCYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL1468162 | 0.76 | MAPT (0.55) | CYP2D6MAPTCYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL1743000 | 0.75 | CYP2D6 (0.50) | CYP2D6MAPTCYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL20225729 | 0.75 | PDCD1 (0.57) | CYP2D6CYP3A4ALDH1A1LMNAHTT | |
| SCHEMBL1465771 | 0.75 | CYP2D6 (0.54) | CYP2D6MAPTCYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL110634 | 0.75 | CD274 (0.57) | CYP2D6MAPTCYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL7925062 | 0.75 | CYP2D6 (0.50) | CYP2D6MAPTCYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL2369137 | 0.75 | CYP2D6 (0.50) | CYP2D6MAPTCYP1A2CYP3A4ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7713961-B2 | Substituted 1,2-ethylenediamines, methods for preparing them and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-05-11 | — | — | US | disclosed |