Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | LPL | P06858 | 1/20 | 0.44 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.44 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL52437 | 0.97 | TP53 (0.50) | TP53TSHRMAPK1ATMTDP1 | |
| Benzene SCHEMBL28650497 | 0.92 | TP53 (0.60) | TP53TSHRMAPK1ATMTDP1 | |
| SCHEMBL3599879 | 0.89 | NPC1 (0.48) | TP53TSHRMAPK1ATMTDP1 | |
| SCHEMBL9505702 | 0.83 | SMN1; SMN2 (0.49) | TP53TSHRMAPK1ATMTDP1 | |
| SCHEMBL97582 | 0.80 | CA1 (0.52) | TSHRTDP1TAAR1MGLLALDH1A1 | |
| SCHEMBL36295 | 0.80 | TP53 (0.67) | TP53TSHRMAPK1ATMTDP1 | |
| SCHEMBL10731985 | 0.79 | ALDH1A1 (0.57) | TDP1POLBNPC1GAAALDH1A1 | |
| SCHEMBL15201702 | 0.78 | TP53 (0.50) | TP53TSHRMAPK1ATMTDP1 | |
| SCHEMBL31498555 | 0.77 | TP53 (0.62) | TP53TSHRMAPK1ATMTDP1 | |
| Hydrogen Sulfide SCHEMBL29290777 | 0.77 | TP53 (0.62) | TP53TSHRMAPK1ATMTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2001226312-A | METHOD FOR PRODUCING 3-PHENYLPROPYL KETONE COMPOUND | UBE IND LTD | 2001-08-21 | — | — | JP | disclosed |