Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 3/20 | 0.38 |
| ▸ | PPARA | Q07869 | 3/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11063095 | 0.89 | ALDH1A1 (0.44) | ALDH1A1MAPTHPGDPOLBNPC1 | |
| SCHEMBL11062234 | 0.88 | ALDH1A1 (0.43) | ALDH1A1MAPTHPGDPOLBNPC1 | |
| SCHEMBL11065506 | 0.87 | L3MBTL1 (0.50) | ALDH1A1L3MBTL1PPARGPPARALMNA | |
| SCHEMBL8248373 | 0.87 | RNF4 (0.47) | ALDH1A1MAPTHPGDNPC1RAB9A | |
| SCHEMBL11073272 | 0.86 | ALDH1A1 (0.43) | ALDH1A1POLBNPC1CYP1A2CYP3A4 | |
| SCHEMBL11068842 | 0.81 | LTB4R2 (0.41) | ALDH1A1MAPTHPGDRAB9AFFAR1 | |
| SCHEMBL11062393 | 0.80 | L3MBTL1 (0.43) | ALDH1A1MAPTHPGDNPC1RAB9A | |
| SCHEMBL29837176 | 0.79 | ALDH1A1 (0.39) | ALDH1A1MAPTHPGDPOLBNPC1 | |
| SCHEMBL11071581 | 0.76 | ALDH1A1 (0.47) | ALDH1A1MAPTHPGDPOLBNPC1 | |
| SCHEMBL6575843 | 0.75 | ALDH1A1 (0.44) | ALDH1A1MAPTHPGDPOLBNPC1 |
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-4447436-A | 1,2,3,4-Tetrahydroisoquinolines 6.10,7,8 dihydroxy substitute-1-methylanilino and use as smooth muscle relaxants | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1984-05-08 | — | — | US | disclosed |
| US-4220647-A | MUSCLE RELAXANTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1980-09-02 | — | — | US | disclosed |