Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | CNR2 | P34972 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 3/20 | 0.47 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL9170618 | 0.86 | PLA2G2A (0.53) | TSHRALDH1A1CYP3A4MAPK1TDP1 | |
| SCHEMBL9163857 | 0.84 | PLA2G2A (0.65) | TSHRALDH1A1CYP3A4MAPK1TDP1 | |
| SCHEMBL9170924 | 0.82 | CETP (0.45) | TSHRALDH1A1CYP3A4MAPK1TDP1 | |
| SCHEMBL9163827 | 0.82 | PLA2G2A (0.54) | TSHRALDH1A1CYP3A4MAPK1TDP1 | |
| SCHEMBL9166194 | 0.82 | PLA2G2A (0.64) | TSHRALDH1A1CNR2ESR1AKR1C4 | |
| SCHEMBL9165915 | 0.82 | PLA2G2A (0.64) | TSHRALDH1A1CNR2ESR1AKR1C4 | |
| SCHEMBL9166922 | 0.82 | PLA2G2A (0.64) | TSHRALDH1A1CNR2ESR1AKR1C4 | |
| SCHEMBL9172248 | 0.81 | PLA2G2A (0.61) | CNR2PLA2G2ABLM | |
| SCHEMBL11297076 | 0.81 | TDP1 (0.64) | TSHRALDH1A1CYP3A4MAPK1TDP1 | |
| SCHEMBL2845847 | 0.81 | TDP1 (0.64) | TSHRALDH1A1CYP3A4MAPK1TDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5446189-A | Diester intermediates for diacid enzyme inhibitor | HOFFMANN-LA ROCHE INC. (US) | 1995-08-29 | — | — | US | disclosed |
| US-5324747-A | Treatment of inflammatory diseases | HOFFMANN-LA ROCHE INC. (US) | 1994-06-28 | — | — | US | disclosed |
| EP-0579066-A2 | N-substituted anilines | F. HOFFMANN-LA ROCHE AG (CH) | 1994-01-19 | — | — | EP | disclosed |