Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | NQO1 | P15559 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25425630 | 0.70 | NNMT (0.47) | ADRA2A | |
| SCHEMBL25425626 | 0.70 | NNMT (0.47) | ADRA2A | |
| SCHEMBL14174289 | 0.66 | HTR2A (0.31) | — | |
| SCHEMBL19361311 | 0.66 | MAOA (0.47) | MAPTMAOAMAOBALDH1A1TSHR | |
| SCHEMBL27736339 | 0.63 | HTR2A (0.31) | — | |
| SCHEMBL27928981 | 0.62 | HTT (0.51) | MAPTMAOAMAOBALDH1A1HSD17B10 | |
| SCHEMBL21427 | 0.61 | NQO1 (0.47) | MAOAMAOBNQO1 | |
| SCHEMBL14395035 | 0.60 | NPC1 (0.64) | MAPTMAOAMAOBALDH1A1NPC1 | |
| SCHEMBL9586183 | 0.60 | NQO1 (0.61) | MAPTMAOAMAOBTSHRRAB9A | |
| 1,4-Diethoxybenzene SCHEMBL124015 | 0.60 | NQO1 (1.00) | MAPTALDH1A1TSHRKDM4ENPC1 |
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-3362449-B1 | SIBIRILINE DERIVATIVES FOR USE FOR PREVENTING AND/OR TREATING DISORDERS ASSOCIATED WITH CELLULAR NECROPTOSIS | INST NAT SANTE RECH MED (FR) | 2021-06-16 | — | — | EP | disclosed |