Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL3636993 | 0.84 | HTR2A (0.50) | ALDH1A1HPGDSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL31596156 | 0.84 | HTR2A (0.50) | ALDH1A1HPGDSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11782458 | 0.84 | ATP4A (0.43) | ALDH1A1HPGDCSNK2A1HTR2AFFAR1 | |
| SCHEMBL26988503 | 0.81 | PYCR1 (0.42) | SLC6A2SLC6A4SLC6A3HTR2AKEAP1 | |
| SCHEMBL9364439 | 0.81 | SLC6A4 (0.41) | ALDH1A1HPGDSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL10566854 | 0.81 | KEAP1 (0.58) | ALDH1A1HPGDSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL10564000 | 0.81 | ALDH1A1 (0.46) | ALDH1A1HPGDSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4863460 | 0.81 | ALDH1A1 (0.41) | ALDH1A1HPGDSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5703576 | 0.80 | PYCR1 (0.45) | ALDH1A1HPGDCYP1A2L3MBTL1KMT2A | |
| SCHEMBL8763318 | 0.80 | ALDH1A1 (0.50) | ALDH1A1HPGDCSNK2A1HTR2AFFAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4874763-A | ANTIARRHYTHMIA AGENTS | ROEHM GMBH CHEMISCHE FABRIK (DE) | 1989-10-17 | — | — | US | disclosed |
| EP-0318795-A2 | Pharmaceutically active pteridin derivatives | Röhm GmbH (DE) | 1989-06-07 | — | — | EP | disclosed |