Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.37 |
| ▸ | DDB1 | Q16531 | 2/20 | 0.35 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TYMS | P04818 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | TTR | P02766 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11301464 | 0.88 | RAB9A (0.51) | ALDH1A1SMN1; SMN2OPRL1DDB1CRBN | |
| SCHEMBL7357138 | 0.84 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2HPGDRAB9ATYMS | |
| Hydrochloric Acid SCHEMBL11305461 | 0.83 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2HPGDRAB9ATYMS | |
| SCHEMBL7353697 | 0.83 | SCN10A (0.36) | SCN10A | |
| SCHEMBL7357211 | 0.83 | SCN10A (0.33) | SCN10A | |
| SCHEMBL7347934 | 0.82 | CYP1A2 (0.52) | SMN1; SMN2RAB9ALMNAMAPTHTT | |
| Hydrochloric Acid SCHEMBL11302741 | 0.81 | NPBWR1 (0.48) | ALDH1A1SMN1; SMN2HPGDRAB9ALMNA | |
| SCHEMBL7352293 | 0.81 | NPC1 (0.49) | ALDH1A1SMN1; SMN2RAB9AMAPTMEN1 | |
| Hydrochloric Acid SCHEMBL11305184 | 0.81 | KDM4E (0.42) | ALDH1A1HPGDLMNAMEN1KMT2A | |
| SCHEMBL7354966 | 0.81 | SMN1; SMN2 (0.43) | ALDH1A1SMN1; SMN2HPGDLMNAMAPT |
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-4361563-A | CARDIOTONIC, ANTITHROMBOTIC | DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1982-11-30 | — | — | US | disclosed |
| EP-0008391-A1 | Benzimidazoles, their preparation and pharmaceutical compositions containing them | Dr. Karl Thomae GmbH (DE) | 1980-03-05 | — | — | EP | disclosed |