Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.36 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.34 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.34 |
| ▸ | ATP1A3 | P13637 | 1/20 | 0.34 |
| ▸ | ATP1B2 | P14415 | 1/20 | 0.34 |
| ▸ | ATP1A2 | P50993 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10852189 | 1.00 | MAPK1 (0.38) | MAPK1CYP3A4CYP2D6AKR1B1PTPN2 | |
| SCHEMBL10802463 | 0.90 | ALDH1A1 (0.40) | MAPK1CYP3A4ALDH1A1TSHRCYP2C9 | |
| SCHEMBL10851758 | 0.90 | ALDH1A1 (0.40) | MAPK1CYP3A4ALDH1A1TSHRCYP2C9 | |
| SCHEMBL10774977 | 0.85 | OPRM1 (0.37) | MAPK1OPRM1OPRL1IDO1CYP2C19 | |
| SCHEMBL10774975 | 0.85 | OPRM1 (0.37) | MAPK1OPRM1OPRL1IDO1CYP2C19 | |
| SCHEMBL10859577 | 0.81 | BCHE (0.36) | MAPK1OPRM1OPRL1IDO1CYP2C19 | |
| SCHEMBL10775073 | 0.80 | MAPK1 (0.39) | MAPK1CYP3A4CYP2D6PTPN2PTPN1 | |
| SCHEMBL10775076 | 0.80 | MAPK1 (0.39) | MAPK1CYP3A4CYP2D6PTPN2PTPN1 | |
| SCHEMBL10804755 | 0.79 | MAPK1 (0.38) | MAPK1CYP3A4CYP2D6PTPN2PTPN1 | |
| SCHEMBL10777533 | 0.78 | MAPK1 (0.38) | MAPK1CYP3A4CYP2D6PTPN2PTPN1 |
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-4567283-A | EPOXYCYCLOHEXANOLS | SHELL OIL COMPANY (US) | 1986-01-28 | — | — | US | disclosed |
| US-4542244-A | Oxabicycloalkane herbicides | SHELL OIL COMPANY (US) | 1985-09-17 | — | — | US | disclosed |
| US-4487945-A | ACIDIFYING A CIS-EPOXYCYCLOHEXANOL | SHELL OIL COMPANY (US) | 1984-12-11 | — | — | US | disclosed |
| EP-0081893-A2 | Oxabicycloalkane herbicides | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1983-06-22 | — | — | EP | disclosed |