Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH2 | P25021 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 4/20 | 0.41 |
| ▸ | MAOB | P27338 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28911580 | 0.93 | HRH3 (0.46) | HRH2HRH3MAOAMAOBALDH1A1 | |
| SCHEMBL2537581 | 0.84 | ALDH1A1 (0.38) | HRH2HRH3MAOAMAOBALDH1A1 | |
| SCHEMBL8130405 | 0.79 | HRH2 (0.44) | HRH2HRH3CA1CA2CA4 | |
| SCHEMBL7700085 | 0.78 | CHRNB4 (0.41) | MAOBKMT2AALDH1A1MAPTCHRNB4 | |
| SCHEMBL6367893 | 0.77 | CHRNB4 (0.35) | KMT2AALDH1A1MAPTCHRNB4CHRNA3 | |
| SCHEMBL576359 | 0.77 | CHRNB4 (0.35) | KMT2AALDH1A1MAPTCHRNB4CHRNA3 | |
| SCHEMBL18549967 | 0.77 | ALDH1A1 (0.36) | KMT2AALDH1A1MAPTCHRNB4CHRNA3 | |
| SCHEMBL4618385 | 0.77 | SLC18A3 (0.39) | KMT2AALDH1A1GAACHRNB4CHRNA3 | |
| SCHEMBL8938045 | 0.76 | KDM4E (0.36) | KMT2AALDH1A1HPGDCHRNB4CHRNA3 | |
| SCHEMBL8125268 | 0.76 | S1PR1 (0.38) | HRH2HRH3CA1CA2CA4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1740171-A1 | INDOL-1-YL-ACETIC ACID DERIVATIVES | Actelion Pharmaceuticals Ltd. (CH) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005094816-A1 | INDOL-1-YL-ACETIC ACID DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2005-10-13 | — | — | WO | disclosed |
| EP-1028945-A1 | SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS | Amgen Inc. (US) | 2000-08-23 | — | — | EP | disclosed |
| WO-1999024404-A1 | SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS | AMGEN INC. (US) | 1999-05-20 | — | — | WO | disclosed |