Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.44 |
| ▸ | LRRK2 | Q5S007 | 10/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | RARA | P10276 | 1/20 | 0.38 |
| ▸ | RARB | P10826 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8512697 | 0.99 | CYP1A2 (0.51) | CYP1A2ALDH1A1CYP2C19HRH4LRRK2 | |
| SCHEMBL8514439 | 0.91 | LRRK2 (0.45) | CYP1A2ALDH1A1CYP2C19HRH4LRRK2 | |
| SCHEMBL2016664 | 0.84 | DYRK1A (0.54) | DYRK1A | |
| SCHEMBL9612709 | 0.81 | KMT2A (0.47) | CYP1A2ALDH1A1HRH4KDM4EDYRK1A | |
| SCHEMBL9612706 | 0.81 | HTR7 (0.49) | HRH4 | |
| SCHEMBL2014630 | 0.80 | RARA (0.51) | ALDH1A1RARARARB | |
| SCHEMBL8511703 | 0.79 | ROCK2 (0.39) | LRRK2DYRK1A | |
| SCHEMBL8514096 | 0.79 | ROCK2 (0.55) | CYP1A2ALDH1A1CYP2C19HSD17B10KDM4E | |
| Hydrochloric Acid SCHEMBL8515528 | 0.78 | ROCK2 (0.54) | CYP1A2ALDH1A1CYP2C19HSD17B10KDM4E | |
| SCHEMBL8515571 | 0.78 | CYP1A2 (0.47) | CYP1A2ALDH1A1CYP2C19HRH4HSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012069852-A1 | PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE | ALMAC DISCOVERY LIMITED (GB) | 2012-05-31 | — | — | WO | claimed |
| WO-2012069852-A1 | PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE | ALMAC DISCOVERY LIMITED (GB) | 2012-05-31 | — | — | WO | disclosed |