Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | PLK1 | P53350 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 1/20 | 0.43 |
| ▸ | RXRB | P28702 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13175931 | 0.94 | ALDH1A1 (0.52) | ALDH1A1PLK1SMN1; SMN2HPGDHTT | |
| SCHEMBL13175610 | 0.94 | ALDH1A1 (0.52) | ALDH1A1PLK1SMN1; SMN2HPGDHTT | |
| SCHEMBL2917393 | 0.89 | ALDH1A1 (0.47) | ALDH1A1PLK1SMN1; SMN2HPGDHTT | |
| SCHEMBL27627345 | 0.86 | ALDH1A1 (0.55) | ALDH1A1PLK1SMN1; SMN2HPGDMAPT | |
| SCHEMBL1628100 | 0.85 | ALDH1A1 (0.59) | ALDH1A1PLK1SMN1; SMN2HPGDHTT | |
| SCHEMBL4418249 | 0.85 | KMT2A (0.56) | ALDH1A1PLK1RXRARXRBLMNA | |
| SCHEMBL3971183 | 0.83 | ALDH1A1 (0.57) | ALDH1A1PLK1SMN1; SMN2HPGDHTT | |
| SCHEMBL3671949 | 0.83 | CES2 (0.52) | ALDH1A1PLK1LMNA | |
| SCHEMBL7495525 | 0.82 | IDO1 (0.41) | ALDH1A1PLK1 | |
| SCHEMBL29137248 | 0.82 | ALDH1A1 (0.55) | ALDH1A1PLK1SMN1; SMN2HPGDHTT |
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 |
|---|---|---|---|---|---|---|---|
| CN-109438218-B | Synthesis method of hydrochloric acid neritinib intermediate 2- (4-ethyl-3-iodophenyl) -2-methylpropanoic acid | 成都艾必克医药科技有限公司 | 2021-04-09 | — | — | CN | disclosed |
| WO-2004046080-A1 | METHOD OF PREPARATION OF DERIVATIVES OF SUBSTITUTED 2-ARYL AIKANOIC ACIDS | ZENTIVA, A.S. (SK) | 2004-06-03 | — | — | WO | disclosed |