Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | MPL | P40238 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13189792 | 0.81 | MPL (0.41) | ALDH1A1RAB9AALOX5MPLMAPT | |
| SCHEMBL12292213 | 0.76 | ALDH1A1 (0.36) | ALDH1A1RAB9AALOX5MPLMAPT | |
| SCHEMBL12292215 | 0.70 | MPL (0.38) | ALDH1A1RAB9AALOX5MPLMAPT | |
| SCHEMBL12293459 | 0.68 | MPL (0.39) | ALDH1A1RAB9AALOX5MPLMAPT | |
| SCHEMBL10719025 | 0.67 | ALDH1A1 (0.61) | ALDH1A1RAB9AALOX5MPLMAPT | |
| SCHEMBL20390649 | 0.67 | ALDH1A1 (0.44) | ALDH1A1RAB9AALOX5MAPTMEN1 | |
| SCHEMBL3277680 | 0.63 | HSD17B10 (0.70) | ALDH1A1RAB9AALOX5MPLMAPT | |
| SCHEMBL24107845 | 0.63 | MAPT (0.41) | ALDH1A1RAB9AMAPTMEN1KMT2A | |
| SCHEMBL14214865 | 0.63 | MAPT (0.41) | ALDH1A1RAB9AALOX5MAPTMEN1 | |
| SCHEMBL2643204 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010125469-A1 | PYRIMIDINEDIONE-FUSED HETEROCYCLIC COMPOUNDS AS TRPA1 MODULATORS | GLENMARK PHARMACEUTICALS, S.A. (CH) | 2010-11-04 | — | — | WO | disclosed |