Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | ATM | Q13315 | 3/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL670205 | 0.85 | NPC1 (0.56) | ALDH1A1MAPTNPC1MEN1KMT2A | |
| SCHEMBL13513405 | 0.85 | NPC1 (0.56) | ALDH1A1MAPTNPC1MEN1KMT2A | |
| SCHEMBL20625527 | 0.81 | NPC1 (0.48) | ALDH1A1MAPTNPC1MEN1KMT2A | |
| SCHEMBL9661113 | 0.79 | NPC1 (0.53) | ALDH1A1MAPTNPC1MEN1KMT2A | |
| SCHEMBL11371745 | 0.75 | CA12 (0.46) | ALDH1A1NPC1MEN1KMT2AATM | |
| SCHEMBL8172221 | 0.75 | LMNA (0.59) | ALDH1A1NPC1MEN1KMT2AATM | |
| SCHEMBL27624213 | 0.74 | MEN1 (0.51) | ALDH1A1MAPTNPC1MEN1KMT2A | |
| SCHEMBL2358014 | 0.74 | ATM (0.64) | ALDH1A1MAPTNPC1MEN1KMT2A | |
| SCHEMBL2098734 | 0.74 | NPC1 (0.59) | ALDH1A1MAPTNPC1MEN1KMT2A | |
| SCHEMBL316956 | 0.74 | ALDH1A1 (0.69) | ALDH1A1MAPTNPC1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1568701-B1 | TRANSITION METAL COMPLEX HAVING DIPHOSPHINE COMPLEX AS LIGAND | TAKEDA PHARMACEUTICAL (JP) | 2010-01-20 | — | — | EP | disclosed |