Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CCR1 | P32246 | 3/20 | 0.38 |
| ▸ | CCR5 | P51681 | 3/20 | 0.38 |
| ▸ | CCR8 | P51685 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 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 | |
|---|---|---|---|---|
| SCHEMBL15223284 | 0.79 | NCF1 (0.53) | ALDH1A1LMNAKDM4EMEN1KMT2A | |
| SCHEMBL13324092 | 0.76 | ALDH1A1 (0.44) | ALDH1A1LMNAKDM4EMEN1KMT2A | |
| SCHEMBL1602180 | 0.76 | ALDH1A1 (0.47) | ALDH1A1LMNAKDM4EMEN1KMT2A | |
| SCHEMBL23639082 | 0.75 | POLB (0.45) | ALDH1A1LMNAKDM4EMEN1KMT2A | |
| SCHEMBL13324076 | 0.75 | ALDH1A1 (0.43) | ALDH1A1LMNAKDM4EMEN1KMT2A | |
| SCHEMBL11486599 | 0.72 | KDM4E (0.51) | ALDH1A1LMNAKDM4EMEN1KMT2A | |
| SCHEMBL27256379 | 0.72 | NCF1 (0.52) | ALDH1A1LMNAKDM4EMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL27480748 | 0.70 | NCF1 (0.50) | ALDH1A1LMNAKDM4EMEN1KMT2A | |
| SCHEMBL28159315 | 0.70 | NCF1 (0.50) | ALDH1A1LMNAKDM4EMEN1KMT2A | |
| SCHEMBL547309 | 0.69 | TLR8 (0.48) | ALDH1A1 |
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-104496834-B | A kind of preparation method of 3-methyl-4-oxo-4-(to amino) phenylbutyric acid | ASTATECH (CHENGDU) PHARM. CO., LTD. (CN) | 2016-05-11 | — | — | CN | claimed |
| CN-104496834-B | A kind of preparation method of 3-methyl-4-oxo-4-(to amino) phenylbutyric acid | ASTATECH (CHENGDU) PHARM. CO., LTD. (CN) | 2016-05-11 | — | — | CN | disclosed |