Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.69 |
| ▸ | HTR1A | P08908 | 5/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | MAPT | P10636 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | THPO | P40225 | 1/20 | 0.64 |
| ▸ | MTOR | P42345 | 1/20 | 0.64 |
| ▸ | BLM | P54132 | 1/20 | 0.64 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.64 |
| ▸ | HTR7 | P34969 | 6/20 | 0.60 |
| ▸ | DRD2 | P14416 | 3/20 | 0.59 |
| ▸ | HTR2A | P28223 | 2/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL11465528 | 0.88 | SIGMAR1 (0.76) | SIGMAR1HTR1AALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL1253143 | 0.86 | SIGMAR1 (0.69) | SIGMAR1HTR1AALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL8373462 | 0.85 | SIGMAR1 (0.69) | SIGMAR1HTR1AALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL562405 | 0.85 | SIGMAR1 (0.69) | SIGMAR1HTR1AALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL2095954 | 0.85 | SIGMAR1 (0.69) | SIGMAR1HTR1AALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL2927397 | 0.85 | ALDH1A1 (0.77) | SIGMAR1HTR1AALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL3457736 | 0.85 | SIGMAR1 (0.69) | SIGMAR1HTR1AALDH1A1SMN1; SMN2CYP1A2 | |
| Hydrochloric Acid SCHEMBL28640267 | 0.84 | SIGMAR1 (0.67) | SIGMAR1HTR1AALDH1A1SMN1; SMN2CYP1A2 | |
| Hydrochloric Acid SCHEMBL11280918 | 0.84 | SIGMAR1 (0.67) | SIGMAR1HTR1AALDH1A1SMN1; SMN2CYP1A2 | |
| Ammonia Solution, Strong SCHEMBL11284383 | 0.84 | ALDH1A1 (0.75) | SIGMAR1HTR1AALDH1A1SMN1; SMN2CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020026162-A1 | PROCESS FOR THE MULTISTEP CONTINUOUS-FLOW PREPARATION OF FLIBANSERIN | RICHTER GEDEON NYRT. (HU) | 2020-02-06 | — | — | WO | disclosed |