Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | SENP6 | Q9GZR1 | 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 | |
|---|---|---|---|---|
| SCHEMBL28731537 | 0.94 | ALDH1A1 (0.46) | ALDH1A1TDP1CYP1A2MAPTCYP2C9 | |
| SCHEMBL9027345 | 0.90 | RAB9A (0.54) | ALDH1A1TDP1CYP1A2MAPTCYP2C9 | |
| SCHEMBL7134426 | 0.88 | SMN1; SMN2 (0.49) | ALDH1A1TDP1CYP1A2MAPTCYP2C9 | |
| SCHEMBL31283123 | 0.80 | ALDH1A1 (0.56) | ALDH1A1TDP1CYP1A2MAPTCYP2C9 | |
| SCHEMBL223281 | 0.80 | ALDH1A1 (0.56) | ALDH1A1TDP1CYP1A2MAPTCYP2C9 | |
| SCHEMBL10338319 | 0.79 | ALDH1A1 (0.53) | ALDH1A1TDP1CYP1A2MAPTCYP2C9 | |
| SCHEMBL29911025 | 0.79 | ALDH1A1 (0.60) | ALDH1A1TDP1CYP1A2MAPTCYP2C9 | |
| SCHEMBL57736 | 0.79 | ALDH1A1 (0.60) | ALDH1A1TDP1CYP1A2MAPTCYP2C9 | |
| SCHEMBL31572517 | 0.79 | ALDH1A1 (0.60) | ALDH1A1TDP1CYP1A2MAPTCYP2C9 | |
| SCHEMBL28793663 | 0.79 | ALDH1A1 (0.60) | ALDH1A1TDP1CYP1A2MAPTCYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109415295-B | Alpha-cocatalytic derivatives and pharmaceutical compositions thereof | 纽约州立大学研究基金会 | 2022-05-17 | — | — | CN | disclosed |