Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 1/20 | 0.41 |
| ▸ | CTSA | P10619 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.39 |
| ▸ | PRKCG | P05129 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | PRKACA | P17612 | 1/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | AKT2 | P31751 | 1/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7171223 | 0.99 | TACR3 (0.40) | TACR3CTSAALDH1A1MAPTHTT | |
| SCHEMBL6670243 | 0.89 | FFAR1 (0.46) | TACR3CTSADCAF1POLBGPR34 | |
| SCHEMBL6668894 | 0.88 | HTT (0.47) | TACR3CTSAALDH1A1MAPTHTT | |
| Hydrochloric Acid SCHEMBL7172249 | 0.88 | FFAR1 (0.45) | TACR3CTSADCAF1GPR34 | |
| Hydrochloric Acid SCHEMBL7170943 | 0.87 | HTT (0.46) | TACR3CTSAALDH1A1MAPTHTT | |
| SCHEMBL18404162 | 0.84 | ALDH1A1 (0.50) | CTSAALDH1A1MAPTHTTDCAF1 | |
| SCHEMBL6670155 | 0.83 | ALDH1A1 (0.41) | CTSAALDH1A1MAPTHTTROCK2 | |
| Hydrochloric Acid SCHEMBL7171178 | 0.82 | ALDH1A1 (0.40) | CTSAALDH1A1MAPTHTTROCK2 | |
| SCHEMBL24036950 | 0.82 | TACR3 (0.39) | TACR3MAPTROCK2ROCK1CHEK1 | |
| SCHEMBL6667661 | 0.82 | FFAR1 (0.46) | TACR3CTSAMAPTDCAF1POLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1153014-B1 | BETA-ALANINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2004-09-22 | — | — | EP | disclosed |
| EP-1153014-A2 | BETA-ALANINE DERIVATIVES | MERCK PATENT GmbH (DE) | 2001-11-14 | — | — | EP | disclosed |
| WO-2000048996-A2 | β-ALANINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2000-08-24 | — | — | WO | disclosed |