Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14864226 | 0.87 | ALDH1A1 (0.56) | ALDH1A1HPGDCYP3A4MAPK1MAPT | |
| SCHEMBL16951695 | 0.87 | CYP3A4 (0.46) | ALDH1A1HPGDCYP3A4MAPK1MAPT | |
| SCHEMBL10112008 | 0.86 | ALDH1A1 (0.54) | ALDH1A1HPGDCYP3A4MAPK1MAPT | |
| SCHEMBL13469239 | 0.85 | SMN1; SMN2 (0.57) | ALDH1A1HPGDMAPTKMT2AKDM4E | |
| SCHEMBL12328328 | 0.85 | KDM4E (0.50) | ALDH1A1HPGDCYP3A4MAPK1MAPT | |
| SCHEMBL5730634 | 0.85 | ALDH1A1 (0.62) | ALDH1A1HPGDCYP3A4MAPK1MAPT | |
| SCHEMBL7314126 | 0.84 | HSD17B10 (0.61) | ALDH1A1HPGDCYP3A4MAPK1MAPT | |
| SCHEMBL17570761 | 0.84 | CYP3A4 (0.44) | ALDH1A1HPGDCYP3A4MAPK1MAPT | |
| SCHEMBL16238926 | 0.84 | POLB (0.45) | ALDH1A1HPGDCYP3A4MAPK1MAPT | |
| SCHEMBL13469244 | 0.84 | KDM4E (0.58) | ALDH1A1HPGDCYP3A4MAPTKMT2A |
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-1973901-B1 | HYDANTOIN DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISORDERS | MERCK SHARP & DOHME (US) | 2014-12-17 | — | — | EP | disclosed |
| WO-2007084415-A2 | COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS | SCHERING CORPORATION (US) | 2007-07-26 | — | — | WO | disclosed |