Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.64 |
| ▸ | ERCC1 | P07992 | 4/20 | 0.60 |
| ▸ | ERCC4 | Q92889 | 4/20 | 0.60 |
| ▸ | AGTR1 | P30556 | 4/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | MAPT | P10636 | 3/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | ACHE | P22303 | 1/20 | 0.55 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9768260 | 0.83 | ERCC1 (0.60) | AKR1C3ERCC1ERCC4AGTR1SMN1; SMN2 | |
| SCHEMBL18306399 | 0.82 | AKR1C3 (0.83) | AKR1C3AGTR1SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL851008 | 0.80 | ERCC1 (0.60) | ERCC1ERCC4ALDH1A1MAPTGAA | |
| SCHEMBL9768234 | 0.80 | INSR (0.57) | AKR1C3ERCC1ERCC4ALDH1A1MAPT | |
| SCHEMBL593746 | 0.80 | AKR1C3 (0.73) | AKR1C3AGTR1SMN1; SMN2ALDH1A1MAPT | |
| Water SCHEMBL9710740 | 0.79 | ERCC1 (0.58) | ERCC1ERCC4ALDH1A1MAPTGAA | |
| SCHEMBL19707725 | 0.79 | MAPT (0.76) | AKR1C3AGTR1SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL9768311 | 0.78 | ERCC1 (0.51) | ERCC1ERCC4AGTR1SMN1; SMN2ALDH1A1 | |
| SCHEMBL15437795 | 0.76 | ALDH1A1 (0.64) | AKR1C3AGTR1SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL19707558 | 0.76 | RAB9A (0.69) | AKR1C3AGTR1SMN1; SMN2ALDH1A1MAPT |
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-5047592-A | Selective hydrogenolysis process | ETHYL CORPORATION (US) | 1991-09-10 | — | — | US | disclosed |