Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 5/20 | 0.49 |
| ▸ | MAOA | P21397 | 3/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.49 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.49 |
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL836819 | 0.79 | CES1 (0.61) | CES1CA1CA2TDP1TSHR | |
| SCHEMBL10541210 | 0.78 | CES1 (0.50) | CES1CA1CA2TDP1TSHR | |
| SCHEMBL360287 | 0.77 | CES1 (0.63) | CES1CA1CA2TDP1TSHR | |
| SCHEMBL7918197 | 0.76 | CES1 (0.61) | CES1CA1CA2TDP1TSHR | |
| SCHEMBL5099884 | 0.76 | CES1 (0.61) | CES1CA1CA2TDP1TSHR | |
| SCHEMBL8024786 | 0.76 | MAPK1 (0.62) | CES1CA1CA2TDP1TSHR | |
| SCHEMBL10861302 | 0.74 | TDP1 (0.62) | CES1CA1CA2TDP1TSHR | |
| SCHEMBL6230475 | 0.74 | ALDH1A1 (0.55) | CES1CA1CA2TDP1TSHR | |
| SCHEMBL6230478 | 0.74 | ALDH1A1 (0.55) | CES1CA1CA2TDP1TSHR | |
| SCHEMBL6230468 | 0.74 | ALDH1A1 (0.55) | CES1CA1CA2TDP1TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4829076-A | CARDIOVASCULAR DISORDERS | ALKALOIDA VEGYESZETI GYAR (HU) | 1989-05-09 | — | — | US | disclosed |