Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 14/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 11/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 10/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL8375760 | 0.85 | IDO1 (0.43) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL8377351 | 0.82 | CA12 (0.40) | CA12CA1CA2CA9SCN9A | |
| SCHEMBL8375676 | 0.82 | RAB9A (0.41) | CA12CA1CA2CA9PKM | |
| SCHEMBL8377409 | 0.82 | PDK2 (0.41) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL8376442 | 0.81 | LMNA (0.40) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL8378805 | 0.81 | IDO1 (0.42) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL8377390 | 0.78 | IDO1 (0.46) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL8377384 | 0.78 | SCN9A (0.41) | CA12CA1CA2CA9SCN9A | |
| SCHEMBL8377356 | 0.78 | S1PR1 (0.44) | CA12CA1CA2CA9SCN9A | |
| SCHEMBL8377410 | 0.77 | S1PR1 (0.42) | CA12CA1CA2CA9SCN9A |
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-6005116-A | HAVE INHIBITION ACTIVITIES AGAINST TYPE A-MONOAMINE OXIDASE; TREATING OR PREVENTING DEPRESSION, PARKINSON'S DISEASE, ALZEHEIMER'S DEMENTIA, OR CEREBROVASCULAR DEMENTIA | SANKYO COMPANY, LIMITED (JP) | 1999-12-21 | — | — | US | disclosed |
| EP-0885891-A1 | ISOXAZOLE DERIVATIVES | SANKYO COMPANY LIMITED (JP) | 1998-12-23 | — | — | EP | disclosed |