Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.67 |
| ▸ | HTT | P42858 | 2/20 | 0.67 |
| ▸ | GAA | P10253 | 1/20 | 0.67 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.65 |
| ▸ | HTR1A | P08908 | 8/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.52 |
| ▸ | KDR | P35968 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | HTR7 | P34969 | 4/20 | 0.49 |
| ▸ | HTR6 | P50406 | 3/20 | 0.45 |
| ▸ | HTR2B | P41595 | 2/20 | 0.45 |
| ▸ | HTR3A | P46098 | 4/20 | 0.45 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.45 |
| ▸ | HTR3B | O95264 | 1/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1136241 | 0.83 | ALDH1A1 (0.93) | ALDH1A1HTTGAAL3MBTL1KDM4E | |
| SCHEMBL29937765 | 0.83 | ALDH1A1 (0.93) | ALDH1A1HTTGAAL3MBTL1KDM4E | |
| SCHEMBL1110600 | 0.81 | ALDH1A1 (0.96) | ALDH1A1HTTGAAL3MBTL1KDM4E | |
| SCHEMBL233938 | 0.81 | KDR (0.53) | ALDH1A1GAAHTR1ASLC6A2SLC6A4 | |
| SCHEMBL3485151 | 0.81 | ALDH1A1 (0.96) | ALDH1A1HTTGAAL3MBTL1KDM4E | |
| SCHEMBL29557426 | 0.81 | KDR (0.53) | ALDH1A1GAAHTR1ASLC6A2SLC6A4 | |
| SCHEMBL14377494 | 0.81 | ALDH1A1 (0.46) | ALDH1A1HTTGAAKDM4EHTR6 | |
| Hydrochloric Acid SCHEMBL23043584 | 0.80 | ALDH1A1 (1.00) | ALDH1A1HTTGAAL3MBTL1KDM4E | |
| SCHEMBL30952449 | 0.80 | ADRB1 (0.56) | ALDH1A1HTR1ASLC6A2SLC6A4KDR | |
| Hydrochloric Acid SCHEMBL4331979 | 0.80 | KDR (0.51) | ALDH1A1HTTGAAHTR1ASLC6A2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108373476-A | A kind of kinase inhibitor and its preparation and application | 成都地奥制药集团有限公司 | 2018-08-07 | — | — | CN | disclosed |
| EP-2078003-B1 | ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF | MERCK SHARP & DOHME (US) | 2017-03-08 | — | — | EP | disclosed |
| US-9206142-B2 | Anilinopiperazine derivatives and methods of use thereof | MERCK SHARP & DOHME CORP. (US) | 2015-12-08 | — | — | US | disclosed |
| EP-2078004-B1 | 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2015-02-25 | — | — | EP | disclosed |
| US-20120328691-A1 | ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF | MERCK SHARP & DOHME LLC | 2012-12-27 | — | — | US | disclosed |
| US-8318735-B2 | 2-aminothiazole-4-carboxylic amides as protein kinase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2012-11-27 | — | — | US | disclosed |
| US-20100130465-A1 | 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS | MERCK SHARP & DOHME LLC | 2010-05-27 | — | — | US | disclosed |
| WO-2008054749-A1 | 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS | SCHERING CORPORATION (US) | 2008-05-08 | — | — | WO | disclosed |
| WO-2008054702-A1 | ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF | SCHERING CORPORATION (US) | 2008-05-08 | — | — | WO | disclosed |
| EP-1117651-A1 | NEW BIS-BENZIMIDAZOLES | Bayer Aktiengesellschaft (DE) | 2001-07-25 | — | — | EP | disclosed |
| WO-2000020401-A1 | NEW BIS-BENZIMIDAZOLES | BAYER AKTIENGESELLSCHAFT (DE) | 2000-04-13 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100130465-A1 | 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS | MAPK15, CDK15, MAP3K15 | ALDH1A1 3331/4885HTT 1043/4885GAA 3421/4885 |
| US-20120328691-A1 | ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF | MAPK15, CDK15, MAPKAPK5 | ALDH1A1 3548/4885HTT 834/4885GAA 3259/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.