Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | NT5E | P21589 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | CDC7 | O00311 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | PRKACA | P17612 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 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 | |
|---|---|---|---|---|
| SCHEMBL2015119 | 0.84 | AHR (0.31) | — | |
| SCHEMBL4209132 | 0.82 | TAAR1 (0.40) | TAAR1ESR2IDO1NT5EKDM4E | |
| SCHEMBL9648712 | 0.82 | TDO2 (0.40) | TAAR1ESR2IDO1NOTUMMEN1 | |
| SCHEMBL9769412 | 0.79 | HSD17B1 (0.44) | ESR2ALDH1A1HSD17B1HSD17B2 | |
| SCHEMBL2012945 | 0.79 | ACHE (0.39) | TAAR1ESR2KDM4EHPGDNPSR1 | |
| SCHEMBL16720132 | 0.79 | ESR2 (0.46) | TAAR1ESR2KDM4EHPGDNPSR1 | |
| SCHEMBL695054 | 0.79 | RORB (0.48) | IDO1KDM4EHPGDNPSR1CDK2 | |
| SCHEMBL27707563 | 0.79 | TAAR1 (0.40) | TAAR1ESR2IDO1NT5EKDM4E | |
| SCHEMBL2012244 | 0.78 | PTGS2 (0.39) | KDM4EALDH1A1 | |
| SCHEMBL2093448 | 0.77 | CYP2A6 (0.54) | ESR2KDM4EHPGDNPSR1ALDH1A1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103664993-B | Compound of one class treatment ischemic brain damage and uses thereof | HAN BING (CN) | 2016-05-25 | — | — | CN | claimed |
| CN-111212643-A | Combination therapy | 梅制药公司 | 2020-05-29 | — | — | CN | disclosed |
| WO-2013182433-A1 | A PROCESS USING GRIGNARD REAGENTS | BASF SE (DE) | 2013-12-12 | — | — | WO | disclosed |
| EP-2547687-A1 | A PROCESS USING GRIGNARD REAGENTS | BASF SE (DE) | 2013-01-23 | — | — | EP | disclosed |
| EP-2513067-A1 | METHOD FOR PRODUCING TRIAZOLINTHIONE DERIVATIVES AND INTERMEDIATES THEREOF | BASF SE (DE) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011113820-A1 | A PROCESS USING GRIGNARD REAGENTS | BASF SE (DE) | 2011-09-22 | — | — | WO | disclosed |
| WO-2011073145-A1 | METHOD FOR PRODUCING TRIAZOLINTHIONE DERIVATIVES AND INTERMEDIATES THEREOF | BASF SE (DE) | 2011-06-23 | — | — | WO | disclosed |
| WO-2004030671-A2 | USE OF 4-AMINO-QUINAZOLINES AS ANTI CANCER AGENTS | MERCK PATENT GMBH (DE) | 2004-04-15 | — | — | WO | disclosed |