Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | NQO2 | P16083 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15515330 | 0.80 | CYP1B1 (0.33) | ALDH1A1CYP1B1HSD17B10HIF1APOLB | |
| SCHEMBL458943 | 0.69 | ALDH1A1 (0.37) | ALDH1A1CYP1B1HSD17B10HIF1APOLB | |
| SCHEMBL456160 | 0.67 | DRD2 (0.33) | — | |
| SCHEMBL4720998 | 0.63 | ALDH1A1 (0.32) | ALDH1A1HSD17B10HIF1ATDP1 | |
| SCHEMBL458139 | 0.63 | — | — | |
| SCHEMBL11409161 | 0.62 | CYP1B1 (0.39) | ALDH1A1CYP1B1HSD17B10HIF1ATSHR | |
| SCHEMBL16752251 | 0.61 | AKR1C3 (0.31) | — | |
| SCHEMBL21359041 | 0.60 | NQO2 (0.53) | ALDH1A1CYP1B1HSD17B10HIF1APOLB | |
| SCHEMBL23071386 | 0.59 | MAPT (0.34) | CYP1B1POLBMAPTL3MBTL1TDP1 | |
| SCHEMBL31496254 | 0.59 | POLB (0.45) | ALDH1A1CYP1B1HSD17B10HIF1APOLB |
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-5811422-A | USEFUL FOR TREATING VIRAL INFECTIONS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-09-22 | — | — | US | disclosed |
| US-5610294-A | VIRAL TREATMENT | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-11 | — | — | US | disclosed |