Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 6/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | KDM6B | O15054 | 1/20 | 0.48 |
| ▸ | KDM6A | O15550 | 1/20 | 0.48 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6956253 | 0.84 | ESR1 (0.63) | ESR1ESR2NPC1RAB9APTGS2 | |
| SCHEMBL16457632 | 0.81 | NPC1 (0.56) | ESR1ESR2NPC1RAB9AMEN1 | |
| SCHEMBL15783214 | 0.80 | NPC1 (0.53) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL11326576 | 0.80 | NPC1 (0.55) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL6965508 | 0.80 | ALDH1A1 (0.53) | ESR1ESR2NPC1RAB9AALDH1A1 | |
| SCHEMBL13053008 | 0.79 | NPC1 (0.67) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL14939104 | 0.77 | NPC1 (0.65) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL23752407 | 0.77 | NPC1 (0.53) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL11326079 | 0.77 | PTGS2 (0.62) | ESR1ESR2NPC1RAB9AMEN1 | |
| SCHEMBL11326116 | 0.77 | NPC1 (0.72) | NPC1RAB9AMEN1KMT2AATM |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-57021375-A | — | — | None | — | — | JP | disclosed |
| US-4636516-A | ANTIINFLAMMATORY, ANTIARTHRITIC, ANTIRHEUMATIC, ANTIPYRETIC, ANALGESIC | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1987-01-13 | — | — | US | disclosed |
| EP-0059090-B1 | 3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL-SUBSTITUTED HETEROCYCLIC COMPOUNDS | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1986-01-29 | — | — | EP | disclosed |
| EP-0164765-A1 | 3,5-Di-Tert-Butyl-4-hydroxyphenyl-substituted heterocyclic compounds | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1985-12-18 | — | — | EP | disclosed |
| EP-0059090-A1 | 3,5-Di-tert-butyl-4-hydroxyphenyl-substituted heterocyclic compounds | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1982-09-01 | — | — | EP | disclosed |
| JP-S5721375-A | 2,6-DI-TERT-BUTYL-4-HETEROCYCLIC SUBSTITUTED PHENOLIC DERIVATIVE AND ITS PREPARATION | YAMANOUCHI PHARMACEUT CO LTD | 1982-02-04 | — | — | JP | disclosed |