Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB2 | P05107 | 6/20 | 0.41 |
| ▸ | ICAM1 | P05362 | 6/20 | 0.41 |
| ▸ | ITGAL | P20701 | 6/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | LRRK2 | Q5S007 | 10/20 | 0.40 |
| ▸ | KMO | O15229 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8514204 | 0.86 | LRRK2 (0.47) | ITGB2ICAM1ITGALLRRK2 | |
| Hydrochloric Acid SCHEMBL8511497 | 0.85 | LRRK2 (0.47) | ITGB2ICAM1ITGALLRRK2 | |
| SCHEMBL8511517 | 0.79 | CYP1A2 (0.40) | KDM4EALDH1A1CYP1A2HSD17B10TSHR | |
| SCHEMBL8514151 | 0.70 | CYP1A2 (0.40) | KDM4EALDH1A1CYP1A2HSD17B10TSHR | |
| SCHEMBL8511499 | 0.70 | S1PR1 (0.43) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8512803 | 0.69 | S1PR1 (0.42) | ALDH1A1 | |
| SCHEMBL8513449 | 0.67 | S1PR1 (0.42) | HRH4KDM4EALDH1A1CYP1A2GLA | |
| SCHEMBL8514773 | 0.67 | ADRB1 (0.43) | KDM4EALDH1A1KMO | |
| Hydrochloric Acid SCHEMBL8510076 | 0.66 | S1PR1 (0.41) | HRH4ALDH1A1CYP1A2GLAHPGD | |
| Hydrochloric Acid SCHEMBL8514967 | 0.66 | ADRB1 (0.42) | KDM4EALDH1A1KMO |
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-2012069852-A1 | PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE | ALMAC DISCOVERY LIMITED (GB) | 2012-05-31 | — | — | WO | disclosed |