Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.59 |
| ▸ | ESR1 | P03372 | 4/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.41 |
| ▸ | ESRRG | P62508 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.40 |
| ▸ | TACR2 | P21452 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19954175 | 0.81 | SIGMAR1 (0.65) | KDM4ESIGMAR1TAAR1SLC6A2SLC6A4 | |
| SCHEMBL16197510 | 0.78 | KDM4E (0.56) | KDM4EESR1ESR2SIGMAR1TAAR1 | |
| SCHEMBL16197649 | 0.78 | KDM4E (0.56) | KDM4EESR1ESR2SIGMAR1TAAR1 | |
| Hordenine SCHEMBL19896488 | 0.76 | HRH3 (0.67) | KDM4EESR1ESR2SIGMAR1CA2 | |
| Hordenine SCHEMBL36798 | 0.76 | HRH3 (0.67) | KDM4EESR1ESR2SIGMAR1CA2 | |
| SCHEMBL27534382 | 0.75 | ESR1 (0.52) | KDM4EESR1ESR2SIGMAR1CA2 | |
| Hordenine SCHEMBL2478680 | 0.74 | HRH3 (0.64) | KDM4EESR1ESR2SIGMAR1CA2 | |
| Hordenine SCHEMBL11147428 | 0.74 | HRH3 (0.64) | KDM4EESR1ESR2SIGMAR1CA2 | |
| Hordenine SCHEMBL28644842 | 0.72 | HRH3 (0.61) | KDM4EESR1ESR2SIGMAR1CA2 | |
| SCHEMBL3160064 | 0.71 | ESR1 (0.52) | KDM4EESR1ESR2SIGMAR1CA2 |
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-3388427-B1 | DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS | PF MEDICAMENT (FR) | 2022-01-19 | — | — | EP | disclosed |