Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | CASP1 | P29466 | 3/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.33 |
| ▸ | BRD7 | Q9NPI1 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ANPEP | P15144 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27514116 | 0.81 | KDM4E (0.49) | ALDH1A1TSHRNPC1RAB9ACASP1 | |
| SCHEMBL6625935 | 0.79 | PTGDR2 (0.45) | ALDH1A1TSHRNPC1RAB9AHSD17B10 | |
| SCHEMBL9058591 | 0.75 | TSHR (0.47) | ALDH1A1TSHRCASP1CASP7HSD17B10 | |
| SCHEMBL28543486 | 0.74 | CASP1 (0.44) | ALDH1A1TSHRNPC1RAB9ACASP1 | |
| Hydrochloric Acid SCHEMBL6572314 | 0.72 | CASP1 (0.43) | ALDH1A1TSHRNPC1RAB9ACASP1 | |
| SCHEMBL6575760 | 0.71 | PDE10A (0.59) | ALDH1A1TSHRNPC1RAB9ACASP1 | |
| SCHEMBL27649587 | 0.71 | ACHE (0.42) | ALDH1A1TSHRNPC1RAB9ACASP1 | |
| SCHEMBL9058049 | 0.70 | ERN1 (0.39) | ALDH1A1TSHRNPC1RAB9ACASP1 | |
| SCHEMBL6011414 | 0.70 | CASP1 (0.50) | ALDH1A1TSHRNPC1RAB9ACASP1 | |
| SCHEMBL17653959 | 0.70 | ALDH1A1 (0.52) | ALDH1A1TSHRNPC1RAB9ACASP1 |
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-1996021456-A1 | INHIBITORS OF PRENYL TRANSFERASES | UNIVERSITY OF PITTSBURGH (US) | 1996-07-18 | — | — | WO | disclosed |