Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | OXTR | P30559 | 4/20 | 0.44 |
| ▸ | AVPR1A | P37288 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL1032230 | 0.74 | ADORA3 (0.55) | ALDH1A1POLBTP53LMNAKDM4E | |
| SCHEMBL1032179 | 0.69 | ADORA3 (0.49) | ALDH1A1POLBTP53LMNAKDM4E | |
| SCHEMBL5808402 | 0.68 | ALDH1A1 (0.61) | ALDH1A1GAAPOLBTP53LMNA | |
| SCHEMBL5808404 | 0.68 | ALDH1A1 (0.61) | ALDH1A1GAAPOLBTP53LMNA | |
| SCHEMBL5808248 | 0.67 | ALDH1A1 (0.54) | ALDH1A1GAAPOLBTP53HSD17B10 | |
| SCHEMBL20387961 | 0.64 | ALDH1A1 (0.78) | ALDH1A1GAAPOLBLMNAKDM4E | |
| SCHEMBL1030274 | 0.64 | POLB (0.46) | ALDH1A1GAAPOLBLMNAHSD17B10 | |
| SCHEMBL1031744 | 0.63 | NPC1 (0.49) | ALDH1A1POLBLMNAHSD17B10KDM4E | |
| SCHEMBL1031849 | 0.63 | ALDH1A1 (0.49) | ALDH1A1GAAPOLBTP53LMNA | |
| SCHEMBL9416588 | 0.62 | HSD17B2 (0.57) | ALDH1A1MEN1KMT2A |
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-2035375-B1 | 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS | GRUENENTHAL GMBH (DE) | 2011-01-19 | — | — | EP | claimed |