Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 14/20 | 0.47 |
| ▸ | CASP1 | P29466 | 14/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 13/20 | 0.47 |
| ▸ | CASP7 | P55210 | 13/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 13/20 | 0.47 |
| ▸ | HPGD | P15428 | 8/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 5/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 3/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11611665 | 0.87 | IP6K1 (0.44) | ALDH1A1CASP1TSHRUSP2HRH1 | |
| SCHEMBL15322620 | 0.85 | IP6K1 (0.43) | ALDH1A1TSHRUSP2ALOX15SMN1; SMN2 | |
| SCHEMBL336705 | 0.83 | KDM4E (0.49) | ALDH1A1CASP1CYP1A2CASP7HSD17B10 | |
| SCHEMBL30677292 | 0.83 | KDM4E (0.49) | ALDH1A1CASP1CYP1A2CASP7HSD17B10 | |
| SCHEMBL30945083 | 0.74 | ROCK2 (0.50) | ALDH1A1CASP1CYP1A2CASP7HSD17B10 | |
| SCHEMBL2508000 | 0.74 | SCD (0.49) | ALDH1A1CASP1CYP1A2CASP7HSD17B10 | |
| SCHEMBL7269241 | 0.73 | ROCK2 (0.50) | ALDH1A1CASP1CYP1A2CASP7HSD17B10 | |
| SCHEMBL6070116 | 0.73 | PDE4A (0.46) | ALDH1A1CASP1KDM4EUSP2KMT2A | |
| Hydrochloric Acid SCHEMBL6017462 | 0.73 | ROCK2 (0.49) | ALDH1A1CASP1CYP1A2CASP7HSD17B10 | |
| SCHEMBL291823 | 0.72 | ALDH1A1 (0.49) | ALDH1A1CASP1CYP1A2CASP7HSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0331511-B1 | 6-SUBSTITUTED PURINYL PIPERAZINE DERIVATIVES | ORTHO PHARMACEUTICAL CORPORATION (US) | 1993-07-28 | — | — | EP | disclosed |
| EP-0458618-A1 | 6-Substituted purinyl piperazine derivatives | ORTHO PHARMACEUTICAL CORPORATION (US) | 1991-11-27 | — | — | EP | disclosed |
| EP-0331511-A1 | 6-Substituted purinyl piperazine derivatives | ORTHO PHARMACEUTICAL CORPORATION (US) | 1989-09-06 | — | — | EP | disclosed |