Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CETP | P11597 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | PTGES | O14684 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 4/20 | 0.37 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL10854985 | 0.94 | NPC1 (0.45) | NPC1POLBCYP2C9RAB9ACETP | |
| SCHEMBL10849876 | 0.92 | KDM4E (0.43) | NPC1POLBCYP2C9RAB9ACETP | |
| SCHEMBL9558434 | 0.91 | FAAH (0.42) | NPC1POLBCYP2C9RAB9ACETP | |
| SCHEMBL9558473 | 0.90 | FFAR1 (0.44) | NPC1POLBCYP2C9RAB9ACETP | |
| SCHEMBL9558595 | 0.90 | NPC1 (0.40) | NPC1POLBCYP2C9RAB9ACETP | |
| SCHEMBL9557716 | 0.89 | ALDH1A1 (0.44) | NPC1POLBCYP2C9RAB9ACETP | |
| SCHEMBL9559048 | 0.89 | NPC1 (0.39) | NPC1POLBCYP2C9RAB9ACETP | |
| SCHEMBL10849112 | 0.89 | TACR1 (0.44) | NPC1POLBCYP2C9RAB9ACETP | |
| SCHEMBL10857694 | 0.89 | NPC1 (0.42) | NPC1POLBCYP2C9RAB9ACETP | |
| SCHEMBL10853459 | 0.89 | NPC1 (0.39) | NPC1POLBCYP2C9RAB9ACETP |
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-4570005-A | REACTING THE ARYL PROPYL CHLORIDE WITH THE CORRESPONDING ARYL ALCOHOL OR ARYL MERCAPTAN | MITSUITOATSU CHEMICALS INC. (JP) | 1986-02-11 | — | — | US | disclosed |
| US-4397864-A | LOW TOXICITY | MITSUITOATSU CHEMICALS INC. (JP) | 1983-08-09 | — | — | US | disclosed |