Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.53 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.52 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.48 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.48 |
| ▸ | TDP2 | O95551 | 1/20 | 0.47 |
| ▸ | ERN1 | O75460 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.43 |
| ▸ | NAAA | Q02083 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL84653 | 0.85 | LMNA (0.47) | CYP17A1FFAR1MEN1ALDH1A1KMT2A | |
| SCHEMBL9464193 | 0.84 | CYP17A1 (0.61) | CYP17A1PDGFRBPDGFRATDP2ERN1 | |
| SCHEMBL12591809 | 0.84 | NAAA (0.43) | CYP17A1FFAR1ERN1NAAA | |
| SCHEMBL18713949 | 0.83 | CYP17A1 (0.51) | CYP17A1FFAR1PDGFRBPDGFRATDP2 | |
| SCHEMBL18713617 | 0.83 | ERN1 (0.54) | CYP17A1PDGFRBPDGFRAERN1MEN1 | |
| SCHEMBL13906291 | 0.81 | CYP17A1 (0.55) | CYP17A1FFAR1PDGFRBPDGFRATDP2 | |
| SCHEMBL20032324 | 0.81 | CYP17A1 (0.52) | CYP17A1FFAR1PDGFRBPDGFRATDP2 | |
| SCHEMBL15605813 | 0.81 | CYP17A1 (0.58) | CYP17A1FFAR1PDGFRBPDGFRATDP2 | |
| SCHEMBL8481713 | 0.79 | CYP17A1 (0.57) | CYP17A1FFAR1PDGFRBPDGFRATDP2 | |
| SCHEMBL7783072 | 0.79 | CYP17A1 (0.57) | CYP17A1FFAR1PDGFRBPDGFRATDP2 |
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-3041842-B1 | SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS | KAROS PHARMACEUTICALS INC (US) | 2019-10-23 | — | — | EP | disclosed |