Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.55 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.52 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | PGR | P06401 | 1/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.52 |
| ▸ | AR | P10275 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | DRD1 | P21728 | 1/20 | 0.52 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL1764658 | 0.83 | ESR1 (0.32) | ESR1ESR2ALOX15LMNACYP3A4 | |
| SCHEMBL5709283 | 0.81 | ESR1 (0.55) | ESR1ESR2PDCD1CD274ALOX15 | |
| SCHEMBL27772721 | 0.77 | ESR1 (0.50) | ESR1ESR2PDCD1CD274ALOX15 | |
| SCHEMBL11510796 | 0.77 | ESR1 (0.50) | ESR1ESR2PDCD1CD274ALOX15 | |
| SCHEMBL677922 | 0.77 | ESR1 (0.62) | ESR1ESR2PDCD1CD274ALOX15 | |
| SCHEMBL9181985 | 0.75 | ESR1 (0.55) | ESR1ESR2PDCD1CD274ALOX15 | |
| Hydroquinone SCHEMBL4202805 | 0.75 | — | — | |
| SCHEMBL216712 | 0.73 | ESR1 (0.58) | ESR1ESR2PDCD1CD274ALOX15 | |
| SCHEMBL40254 | 0.73 | ESR1 (0.58) | ESR1ESR2PDCD1CD274ALOX15 | |
| SCHEMBL31274990 | 0.73 | ESR1 (0.58) | ESR1ESR2PDCD1CD274ALOX15 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5629406-A | AMINO ACID DERIVATIVES | SANKYO COMPANY, LIMITED (JP) | 1997-05-13 | — | — | US | disclosed |
| EP-0587311-A1 | Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use | SANKYO COMPANY LIMITED (JP) | 1994-03-16 | — | — | EP | disclosed |
| EP-0145002-B1 | PROCESS FOR PREPARATION OF PHOSPHAZENE ESTERS | BORG-WARNER CHEMICALS INC. (US) | 1989-04-05 | — | — | EP | disclosed |
| US-4600791-A | Process for preparation of phosphazene esters | BORG-WARNER CHEMICALS, INC. (US) | 1986-07-15 | — | — | US | disclosed |
| EP-0145002-A2 | Process for preparation of phosphazene esters | BORG-WARNER CHEMICALS INC. (US) | 1985-06-19 | — | — | EP | disclosed |