Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | CES2 | O00748 | 5/20 | 0.42 |
| ▸ | CES1 | P23141 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1667006 | 0.72 | KMT2A (0.49) | ALDH1A1NPC1RAB9AL3MBTL1KMT2A | |
| SCHEMBL10349890 | 0.72 | ALDH1A1 (0.48) | ALDH1A1NPC1RAB9AL3MBTL1KMT2A | |
| Benzophenone SCHEMBL2156249 | 0.71 | ALDH1A1 (0.74) | ALDH1A1NPC1RAB9AL3MBTL1CES2 | |
| SCHEMBL1044178 | 0.69 | ALDH1A1 (0.55) | ALDH1A1NPC1RAB9AL3MBTL1KMT2A | |
| SCHEMBL1666686 | 0.69 | ALDH1A1 (0.62) | ALDH1A1NPC1RAB9AL3MBTL1CES2 | |
| SCHEMBL5169856 | 0.69 | ALDH1A1 (0.62) | ALDH1A1NPC1RAB9AL3MBTL1CES2 | |
| SCHEMBL9323609 | 0.68 | ALDH1A1 (0.61) | ALDH1A1NPC1RAB9AL3MBTL1CES2 | |
| Benzophenone SCHEMBL7454682 | 0.67 | ALDH1A1 (0.88) | ALDH1A1NPC1RAB9AL3MBTL1CES2 | |
| SCHEMBL3039645 | 0.67 | ALDH1A1 (0.59) | ALDH1A1NPC1RAB9AL3MBTL1CES2 | |
| SCHEMBL10007412 | 0.67 | ALDH1A1 (0.59) | ALDH1A1L3MBTL1KMT2AMEN1KDM4E |
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-0494567-A1 | Reagent and three phase hydrocarbonylation process | RHONE-POULENC CHIMIE (FR) | 1992-07-15 | — | — | EP | disclosed |