Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 9/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.50 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28165095 | 1.00 | CYP2A6 (0.57) | CYP2A6ALDH1A1CYP3A4CYP1A2LOXL2 | |
| SCHEMBL4672073 | 0.84 | CYP2A6 (0.67) | CYP2A6ALDH1A1CYP3A4CYP1A2LOXL2 | |
| SCHEMBL31140239 | 0.84 | CYP2A6 (0.67) | CYP2A6ALDH1A1CYP3A4CYP1A2LOXL2 | |
| SCHEMBL6622238 | 0.81 | CYP2A6 (0.76) | CYP2A6ALDH1A1CYP3A4CYP1A2LOXL2 | |
| SCHEMBL29904375 | 0.81 | CYP2A6 (0.52) | CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E | |
| SCHEMBL166615 | 0.81 | CYP2A6 (0.52) | CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E | |
| Pyridine SCHEMBL28875197 | 0.80 | CYP2A6 (0.57) | CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E | |
| Hydrochloric Acid SCHEMBL6061020 | 0.79 | CYP2A6 (0.50) | CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E | |
| Hydrochloric Acid SCHEMBL4552312 | 0.79 | CYP2A6 (0.50) | CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E | |
| Ammonia Solution, Strong SCHEMBL27498840 | 0.79 | CYP2A6 (0.50) | CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110035759-A | Maintenance of immune response during chemotherapeutic regimens | G1治疗公司 | 2019-07-19 | — | — | CN | disclosed |
| CN-109415382-A | Corticostatin analogs | 哈佛学院院长等 | 2019-03-01 | — | — | CN | disclosed |
| CN-104193750-B | Suppress mitotic Compounds and methods for by suppressing aurora kinase | 千禧药品公司 | 2018-04-27 | — | — | CN | disclosed |
| CN-102863441-A | Clic central nervous system active agents | ABBOTT LAB | 2013-01-09 | — | — | CN | disclosed |
| CN-100355755-C | Diazabicyclic central nervous system active agents | ABBOTT LAB (US) | 2007-12-19 | — | — | CN | disclosed |
| EP-0915881-B1 | PYRROLOAZEPINE COMPOUNDS | SUNTORY LTD (JP) | 2003-01-08 | — | — | EP | disclosed |
| EP-0711773-B1 | HYMENIALDISINE AND DERIVATIVE THEREOF, PROCESS FOR PRODUCING INTERMEDIATE FOR SYNTHESIZING THE SAME, AND SAID INTERMEDIATE | SUNTORY LTD (JP) | 2001-09-12 | — | — | EP | disclosed |
| US-5621099-A | CARDIOVASCULAR DISORDERS | SUNTORY LIMITED (JP) | 1997-04-15 | — | — | US | disclosed |
| EP-0711773-A1 | HYMENIALDISINE AND DERIVATIVE THEREOF, PROCESS FOR PRODUCING INTERMEDIATE FOR SYNTHESIZING THE SAME, AND SAID INTERMEDIATE | SUNTORY LIMITED (JP) | 1996-05-15 | — | — | EP | disclosed |