Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | MITF | O75030 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.49 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1857541 | 0.85 | MAPK1 (0.56) | TDP1MAPK1MEN1KMT2APOLB | |
| SCHEMBL6778570 | 0.84 | MEN1 (0.53) | TDP1MAPK1MEN1KMT2APOLB | |
| SCHEMBL1761409 | 0.82 | POLB (0.52) | MAPK1MEN1KMT2APOLBMAPT | |
| SCHEMBL28443352 | 0.82 | ALDH1A1 (0.59) | MEN1KMT2APOLBMAPTRAB9A | |
| SCHEMBL8024809 | 0.82 | NPC1 (0.50) | MAPK1MEN1KMT2APOLBMAPT | |
| SCHEMBL689308 | 0.81 | SMN1; SMN2 (0.64) | TDP1MAPK1MEN1KMT2APOLB | |
| SCHEMBL15962049 | 0.81 | MEN1 (0.62) | TDP1MAPK1MEN1KMT2APOLB | |
| SCHEMBL19332565 | 0.80 | ALDH1A1 (0.43) | TDP1MAPK1MEN1KMT2APOLB | |
| SCHEMBL5507071 | 0.79 | ALDH1A1 (0.54) | MAPK1MEN1KMT2APOLBMAPT | |
| SCHEMBL29082695 | 0.78 | RAB9A (0.52) | TDP1MAPK1MEN1KMT2APOLB |
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-111196772-B | Aroylamino isobutyryl derivative and application thereof | 沈阳化工研究院有限公司 | 2022-09-30 | — | — | CN | disclosed |
| CN-111196772-A | Aroylamino isobutyryl derivative and application thereof | 沈阳化工研究院有限公司 | 2020-05-26 | — | — | CN | disclosed |