Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | DRD1 | P21728 | 2/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MPO | P05164 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15660512 | 0.96 | CYP3A4 (0.42) | TDP1CYP3A4DRD1TRPA1ATM | |
| SCHEMBL6988010 | 0.96 | TDP1 (0.46) | TDP1CYP3A4DRD1TRPA1ATM | |
| SCHEMBL15657818 | 0.92 | CYP3A4 (0.39) | TDP1CYP3A4DRD1TRPA1ATM | |
| SCHEMBL15657874 | 0.84 | CYP3A4 (0.39) | TDP1CYP3A4DRD1TSHRACHE | |
| SCHEMBL49618 | 0.84 | CYP3A4 (0.52) | TDP1CYP3A4DRD1TSHRACHE | |
| SCHEMBL29535212 | 0.84 | CYP3A4 (0.52) | TDP1CYP3A4DRD1TSHRACHE | |
| SCHEMBL15656541 | 0.84 | TSHR (0.43) | TDP1CYP3A4TRPA1ATMTSHR | |
| SCHEMBL29653622 | 0.84 | TRPA1 (0.46) | CYP3A4TRPA1ATMTSHRACHE | |
| SCHEMBL29706026 | 0.84 | TRPA1 (0.46) | CYP3A4TRPA1ATMTSHRACHE | |
| SCHEMBL126302 | 0.84 | TRPA1 (0.46) | CYP3A4TRPA1ATMTSHRACHE |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2735581-B1 | COMPOSITION AND POLYMER | ASAHI CHEMICAL IND (JP) | 2021-07-14 | — | — | EP | disclosed |
| US-9738757-B2 | Composition and polymer | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2017-08-22 | — | — | US | disclosed |
| US-20160222168-A1 | Composition and Polymer | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2016-08-04 | — | — | US | disclosed |
| US-9334371-B2 | Composition and polymer | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2016-05-10 | — | — | US | disclosed |
| EP-2735581-A1 | COMPOSITION AND POLYMER | Asahi Kasei Chemicals Corporation (JP) | 2014-05-28 | — | — | EP | disclosed |
| US-20140121293-A1 | Composition and Polymer | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2014-05-01 | — | — | US | disclosed |
| US-6683136-B2 | OF A NITRILE COPOLYMER RUBBER, USING A HYDROGENATION CATALYST, A COCATALYST, AND A PROTON ACCEPTOR THAT IS NON-COORDINATING WITH THE METAL COMPLEX CATALYST, SUCH AS EPOXIDIZED SOYBEAN OIL (ESBO) | BAYER INC. (CA) | 2004-01-27 | — | — | US | disclosed |
| US-20020128393-A1 | Esbo enhanced hydrogenation | LANXESS INC. (CA) | 2002-09-12 | — | — | US | disclosed |
| EP-1219640-A2 | Hydrogenation of nitrile rubber | Bayer Inc. (CA) | 2002-07-03 | — | — | EP | disclosed |
| EP-0482391-B1 | Recovering of hydrogenation catalysts from hydrogenated nitrile rubbers solutions | BAYER AG (DE) | 1995-12-06 | — | — | EP | disclosed |
| EP-0213422-B1 | PROCESS FOR THE SELECTIVE HYDROGENATION OF UNSATURATED COMPOUNDS | BAYER AG (DE) | 1990-02-28 | — | — | EP | disclosed |
| EP-0174576-B1 | HYDROGENATION OF UNSATURATED POLYMERS CONTAINING NITRILE GROUPS | BAYER AG (DE) | 1989-09-13 | — | — | EP | disclosed |
| US-4812587-A | Process for selective hydrogenation of C--C double bonds in the presence of reducible, nitrogen-containing groups and new ruthenium complex compounds | BAYER AKTIENGESELLSCHAFT (DE) | 1989-03-14 | — | — | US | disclosed |
| EP-0138141-B1 | PROCESS FOR THE SELECTIVE HYDROGENATION OF C-C DOUBLE BONDS IN THE PRESENCE OF REDUCIBLE NITROGEN-CONTAINING GROUPS | BAYER AG (DE) | 1988-02-24 | — | — | EP | disclosed |
| US-4673757-A | Process for selective hydrogenation of C-C double bonds in the presence of reducible, nitrogen-containing groups and new ruthenium complex compounds | BAYER AKTIENGESELLSCHAFT (DE) | 1987-06-16 | — | — | US | disclosed |
| EP-0223151-A2 | Process for the selective hydrogenation of unsaturated compounds | BAYER AG (DE) | 1987-05-27 | — | — | EP | disclosed |
| EP-0213422-A2 | Process for the selective hydrogenation of unsaturated compounds | BAYER AG (DE) | 1987-03-11 | — | — | EP | disclosed |
| US-4631315-A | RUTHENIUM HALOGEN PHOSPHANE COMPLEX CATALYST TO PRESERVE NITRILE GROUPS; RUBBERS | BAYER AKTIENGESELLSCHAFT (DE) | 1986-12-23 | — | — | US | disclosed |
| EP-0174576-A2 | Hydrogenation of unsaturated polymers containing nitrile groups | BAYER AG (DE) | 1986-03-19 | — | — | EP | disclosed |
| EP-0138141-A1 | Process for the selective hydrogenation of C-C double bonds in the presence of reducible nitrogen-containing groups | BAYER AG (DE) | 1985-04-24 | — | — | EP | disclosed |