Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.45 |
| ▸ | RELA | Q04206 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.45 |
| ▸ | WNT3A | P56704 | 3/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL20973212 | 0.79 | MEN1 (0.54) | ALDH1A1MAPK1SRD5A2MEN1KMT2A | |
| SCHEMBL9000245 | 0.79 | ALDH1A1 (0.62) | ALDH1A1MAPK1SRD5A2MEN1KMT2A | |
| SCHEMBL30539184 | 0.79 | ALDH1A1 (0.62) | ALDH1A1MAPK1SRD5A2MEN1KMT2A | |
| SCHEMBL10676455 | 0.76 | ALDH1A1 (0.50) | ALDH1A1MAPK1SRD5A2MEN1KMT2A | |
| SCHEMBL10676449 | 0.76 | ALDH1A1 (0.50) | ALDH1A1MAPK1SRD5A2MEN1KMT2A | |
| SCHEMBL2968032 | 0.76 | PLAU (0.58) | ALDH1A1MAPK1SRD5A2MEN1KMT2A | |
| SCHEMBL4354695 | 0.75 | ALDH1A1 (0.62) | ALDH1A1MAPK1SRD5A2MEN1KMT2A | |
| SCHEMBL15461772 | 0.74 | ALDH1A1 (0.57) | ALDH1A1MAPK1SRD5A2MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL3102294 | 0.74 | PLAU (0.57) | ALDH1A1MAPK1SRD5A2MEN1KMT2A | |
| SCHEMBL201542 | 0.73 | ALDH1A1 (0.55) | ALDH1A1MAPK1SRD5A2MEN1KMT2A |
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-110437230-B | Tertiary amine compound, diphosphine ligand, intermediate and preparation method thereof | 中国科学院上海有机化学研究所 | 2022-06-21 | — | — | CN | disclosed |