Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 5/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | METAP1 | P53582 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | TYMP | P19971 | 2/20 | 0.31 |
| ▸ | ESR1 | P03372 | 3/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | GBA1 | P04062 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL79061 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL8038525 | 0.97 | — | — | |
| SCHEMBL15842184 | 0.97 | ESR2 (0.53) | ESR2CYP1A2SIGMAR1HPGDBRD4 | |
| SCHEMBL80485 | 0.93 | — | — | |
| SCHEMBL25310751 | 0.90 | CYP1A2 (0.48) | ESR2CYP1A2SIGMAR1HPGDMETAP1 | |
| SCHEMBL2018398 | 0.90 | CYP1A2 (0.48) | ESR2CYP1A2SIGMAR1HPGDMETAP1 | |
| Cyclohexane SCHEMBL12482977 | 0.90 | CYP1A2 (0.48) | ESR2CYP1A2SIGMAR1HPGDMETAP1 | |
| SCHEMBL21471 | 0.90 | — | — | |
| SCHEMBL3340061 | 0.90 | CYP1A2 (0.48) | ESR2CYP1A2SIGMAR1HPGDMETAP1 | |
| SCHEMBL16091690 | 0.90 | CYP1A2 (0.48) | ESR2CYP1A2SIGMAR1HPGDMETAP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5183946-A | Reacting a diol derivative with acetylene in presence of basic catalyst; used as chemical intermediate for producing polyurethane useful as hard durable protective coating after curing | ISP INVESTMENTS INC. (US) | 1993-02-02 | — | — | US | disclosed |
| EP-0456658-A4 | VINYLOXY HYDROXYALKYLCYCLOALKANE AND PREPARATION THEREFOR | — | 1992-10-07 | — | — | EP | disclosed |
| EP-0456658-A1 | VINYLOXY HYDROXYALKYLCYCLOALKANE AND PREPARATION THEREFOR | ISP INVESTMENTS INC. (US) | 1991-11-21 | — | — | EP | disclosed |
| WO-1990009364-A1 | VINYLOXY HYDROXYALKYLCYCLOALKANE AND PREPARATION THEREFOR | GAF CHEMICALS CORPORATION (US) | 1990-08-23 | — | — | WO | disclosed |