Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL11057149 | 0.90 | CACNA1C (0.38) | ALDH1A1HTTTP53CACNA1CSCN5A | |
| SCHEMBL11060262 | 0.90 | NR1I2 (0.38) | ALDH1A1NPC1RAB9AHTTTP53 | |
| SCHEMBL11053026 | 0.89 | ALDH1A1 (0.33) | ALDH1A1NPC1RAB9AHTTTP53 | |
| SCHEMBL10614640 | 0.88 | TP53 (0.35) | ALDH1A1NPC1RAB9AHTTTP53 | |
| SCHEMBL11056418 | 0.88 | RECQL (0.38) | ALDH1A1NPC1RAB9AHTTLMNA | |
| SCHEMBL11057291 | 0.88 | HPGD (0.44) | ALDH1A1HTTNR1I2LMNASMN1; SMN2 | |
| SCHEMBL11059255 | 0.87 | ABL1 (0.40) | ALDH1A1HTTOPRM1MAPK14 | |
| SCHEMBL11054616 | 0.87 | HPGD (0.40) | HTTTP53NR1I2LMNASMN1; SMN2 | |
| SCHEMBL11057031 | 0.87 | HPGD (0.45) | ALDH1A1RAB9AHTTNR1I2LMNA | |
| Hydrochloric Acid SCHEMBL11133882 | 0.86 | ABL1 (0.40) | ALDH1A1HTTLMNAOPRM1MAPK14 |
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 |
|---|---|---|---|---|---|---|---|
| US-4452980-A | DIARRHEA | WILLIAM H. RORER, INC. (US) | 1984-06-05 | — | — | US | disclosed |
| US-4246409-A | ANTIDIARRHEAL AGENTS | WILLIAM H. RORER, INC. (US) | 1981-01-20 | — | — | US | disclosed |
| US-4225315-A | Triazinones from amidinoureas | WILLIAM H. RORER, INC. (US) | 1980-09-30 | — | — | US | disclosed |
| US-4147804-A | ANTIARRHYTHMIA AGENTS | WILLIAM H. RORER, INC. (US) | 1979-04-03 | — | — | US | disclosed |