Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.58 |
| ▸ | CASP1 | P29466 | 4/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | PRKCI | P41743 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | TNF | P01375 | 1/20 | 0.42 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL13077269 | 0.78 | ALOX15 (0.44) | PDE10ACASP1TSHRCA1CA2 | |
| SCHEMBL33808 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL6518172 | 0.71 | PDE10A (0.95) | PDE10ACASP1TSHRCA1CA2 | |
| Hydrochloric Acid SCHEMBL27589678 | 0.71 | PDE10A (0.95) | PDE10ACASP1TSHRCA1CA2 | |
| Bromide SCHEMBL4051270 | 0.71 | PDE10A (0.95) | PDE10ACASP1TSHRCA1CA2 | |
| Ethane SCHEMBL11239269 | 0.70 | CASP1 (0.61) | PDE10ACASP1TSHRCA1CA2 | |
| Bromide SCHEMBL6648299 | 0.70 | PDE10A (0.91) | PDE10ACASP1TSHRCA1CA2 | |
| SCHEMBL19492099 | 0.70 | CA1 (0.44) | PDE10ACASP1TSHRCA1CA2 | |
| SCHEMBL29557135 | 0.69 | — | — | |
| SCHEMBL67890 | 0.69 | — | — |
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-2011030927-A1 | COMPOUND FOR INHIBITING TYPE-3 17Β-HYDROXYSTEROID DEHYDROGENASE | 住友化学株式会社 (JP) | 2011-03-17 | — | — | WO | disclosed |