Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.67 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL8909225 | 0.76 | ALDH1A1 (0.52) | ALDH1A1TDP1HPGDUSP2ALOX12 | |
| SCHEMBL8909214 | 0.76 | ALDH1A1 (0.52) | ALDH1A1TDP1HPGDUSP2ALOX12 | |
| SCHEMBL11718194 | 0.74 | IDO1 (0.48) | ALDH1A1TDP1HPGDALOX12GAA | |
| SCHEMBL25890205 | 0.72 | ALDH1A1 (0.49) | ALDH1A1TDP1MAOAMAOBRAB9A | |
| SCHEMBL5796079 | 0.71 | NPC1 (0.55) | ALDH1A1TDP1HPGDALOX12RAB9A | |
| SCHEMBL5796077 | 0.71 | NPC1 (0.55) | ALDH1A1TDP1HPGDALOX12RAB9A | |
| SCHEMBL12711610 | 0.69 | LMNA (0.61) | ALDH1A1TDP1HPGDALOX12RAB9A | |
| SCHEMBL7536709 | 0.69 | LMNA (0.61) | ALDH1A1TDP1HPGDALOX12RAB9A | |
| SCHEMBL507837 | 0.69 | ALDH1A1 (0.90) | ALDH1A1HPGDUSP2ALOX12RAB9A | |
| Methyl Alcohol SCHEMBL2137682 | 0.68 | HRH3 (0.65) | ALDH1A1HPGDRAB9AEPHX1KDM4E |
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-0912467-B1 | ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE | RHODIA CHIMIE SA (FR) | 2002-04-24 | — | — | EP | claimed |