Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Bromomethane SCHEMBL11484065 | 0.96 | RAB9A (0.39) | RAB9AGAANOS1ALDH1A1KDM4E | |
| SCHEMBL11490387 | 0.88 | GAA (0.41) | RAB9AGAANOS1ALDH1A1KDM4E | |
| Iodomethane SCHEMBL11493362 | 0.84 | GAA (0.38) | RAB9AGAANOS1ALDH1A1KDM4E | |
| Bromomethane SCHEMBL11485004 | 0.84 | GAA (0.38) | RAB9AGAANOS1ALDH1A1KDM4E | |
| SCHEMBL11311454 | 0.83 | ALDH1A1 (0.45) | RAB9AGAANOS1ALDH1A1KDM4E | |
| Bromoethane SCHEMBL11493031 | 0.81 | ALDH1A1 (0.39) | RAB9AGAANOS1ALDH1A1KDM4E | |
| SCHEMBL11487458 | 0.81 | RAB9A (0.41) | RAB9AGAANOS1ALDH1A1KDM4E | |
| Iodomethane SCHEMBL11489000 | 0.78 | RAB9A (0.39) | RAB9AGAANOS1ALDH1A1KDM4E | |
| Bromomethane SCHEMBL11492297 | 0.78 | RAB9A (0.39) | RAB9AGAANOS1ALDH1A1KDM4E | |
| SCHEMBL11485300 | 0.77 | OPRM1 (0.54) | ALDH1A1KDM4EL3MBTL1CYP2D6CYP2C19 |
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-4205074-A | Anti-spasmodic substituted quinolizidine and indolizidine compounds | HOKURIKU PHARMACEUTICAL CO., LTD. (JP) | 1980-05-27 | — | — | US | claimed |
| US-4205074-A | Anti-spasmodic substituted quinolizidine and indolizidine compounds | HOKURIKU PHARMACEUTICAL CO., LTD. (JP) | 1980-05-27 | — | — | US | disclosed |