Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 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 | |
|---|---|---|---|---|
| SCHEMBL29853914 | 0.80 | HTR2A (0.38) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 | |
| SCHEMBL4647793 | 0.80 | HTR2A (0.38) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 | |
| SCHEMBL40806 | 0.79 | ALDH1A1 (0.44) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 | |
| SCHEMBL4642610 | 0.77 | ALDH1A1 (0.42) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 | |
| SCHEMBL29853842 | 0.77 | ALDH1A1 (0.42) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 | |
| SCHEMBL24200933 | 0.76 | HTR2A (0.45) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 | |
| SCHEMBL240650 | 0.76 | UGT2B7 (0.47) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 | |
| SCHEMBL4647817 | 0.76 | ALDH1A1 (0.41) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 | |
| SCHEMBL8080922 | 0.76 | HTR2A (0.45) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 | |
| SCHEMBL4645643 | 0.76 | L3MBTL1 (0.45) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1077962-B1 | ISOCYANATE DERIVATIZING AGENT AND METHODS OF PRODUCTION AND USE | US GOV HEALTH & HUMAN SERV (US) | 2005-04-13 | — | — | EP | claimed |