Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 1/20 | 0.46 |
| ▸ | CTSA | P10619 | 1/20 | 0.43 |
| ▸ | MME | P08473 | 2/20 | 0.43 |
| ▸ | MMEL1 | Q495T6 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | GPR34 | Q9UPC5 | 1/20 | 0.41 |
| ▸ | TACR3 | P29371 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | DCAF1 | Q9Y4B6 | 1/20 | 0.40 |
| ▸ | PDE2A | O00408 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.39 |
| ▸ | ACE | P12821 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | LGMN | Q99538 | 1/20 | 0.38 |
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 SCHEMBL7172249 | 0.99 | FFAR1 (0.45) | FFAR1CTSAMMEMMEL1TAAR1 | |
| SCHEMBL6671291 | 0.89 | TACR3 (0.41) | CTSAGPR34TACR3DCAF1POLB | |
| SCHEMBL6668894 | 0.88 | HTT (0.47) | FFAR1CTSATACR3MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL7171223 | 0.88 | TACR3 (0.40) | CTSATACR3DCAF1 | |
| Hydrochloric Acid SCHEMBL7170943 | 0.87 | HTT (0.46) | FFAR1CTSATACR3MEN1KMT2A | |
| SCHEMBL6667674 | 0.87 | MEN1 (0.51) | CTSATACR3MEN1KMT2APOLB | |
| SCHEMBL6667661 | 0.86 | FFAR1 (0.46) | FFAR1CTSAMMEMMEL1TAAR1 | |
| Hydrochloric Acid SCHEMBL7176606 | 0.86 | MEN1 (0.50) | CTSATACR3MEN1KMT2APOLB | |
| Hydrochloric Acid SCHEMBL7177344 | 0.85 | FFAR1 (0.45) | FFAR1CTSAMMEMMEL1TAAR1 | |
| SCHEMBL18404162 | 0.84 | ALDH1A1 (0.50) | FFAR1CTSAMEN1KMT2ADCAF1 |
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 |