Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 10/20 | 0.56 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | TACR2 | P21452 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SHBG | P04278 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL29218845 | 0.95 | SPHK1 (0.50) | SPHK1HTR2AALDH1A1HSD17B10CA2 | |
| SCHEMBL29218703 | 0.89 | SPHK1 (0.42) | SPHK1HTR2AHTR2CCA2LPL | |
| SCHEMBL29218673 | 0.84 | SPHK1 (0.40) | SPHK1SLC6A2SLC6A4SLC6A3KDM4E | |
| SCHEMBL29218804 | 0.82 | OPRL1 (0.39) | SPHK1 | |
| SCHEMBL7532691 | 0.81 | HTR2A (0.51) | HTR2AESR1ADRA2AADORA3TACR2 | |
| SCHEMBL29218865 | 0.79 | KMT2A (0.47) | ALDH1A1LMNACA2 | |
| SCHEMBL9185190 | 0.78 | ALDH1A1 (0.43) | HTR2AALDH1A1CA2 | |
| SCHEMBL9189454 | 0.75 | CA2 (0.40) | HTR2AALDH1A1LMNAHSD17B10CA2 | |
| SCHEMBL31008933 | 0.73 | MAOB (0.47) | — | |
| SCHEMBL25039336 | 0.73 | SPHK1 (0.64) | SPHK1HTR2AESR1ADRA2AADORA3 |
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-118076581-A | Iron death modulators, their preparation and use | 维泰瑞隆有限公司 | 2024-05-24 | — | — | CN | disclosed |