Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 5/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.44 |
| ▸ | RXRA | P19793 | 2/20 | 0.40 |
| ▸ | RXRB | P28702 | 2/20 | 0.40 |
| ▸ | RXRG | P48443 | 2/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PTAFR | P25105 | 3/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8479518 | 1.00 | S1PR1 (0.45) | S1PR1CYP11B1CYP11B2RXRARXRB | |
| SCHEMBL8477182 | 0.86 | CYP11B1 (0.43) | CYP11B1CYP11B2CYP3A4PTAFRNPC1 | |
| SCHEMBL8552537 | 0.86 | CYP11B1 (0.43) | CYP11B1CYP11B2CYP3A4PTAFRNPC1 | |
| SCHEMBL8480353 | 0.82 | AAK1 (0.39) | S1PR1CYP11B1CYP11B2RXRARXRB | |
| SCHEMBL8480204 | 0.81 | LRRK2 (0.48) | CYP11B1CYP11B2PTAFRNPC1RAB9A | |
| Oxalic Acid SCHEMBL8482061 | 0.81 | PDCD1 (0.45) | PTAFRNPC1RAB9A | |
| SCHEMBL8481421 | 0.80 | MEN1 (0.52) | CYP11B1CYP11B2CYP3A4ALDH1A1PTAFR | |
| SCHEMBL8109540 | 0.80 | MEN1 (0.52) | CYP11B1CYP11B2CYP3A4ALDH1A1PTAFR | |
| SCHEMBL8479732 | 0.80 | MEN1 (0.52) | CYP11B1CYP11B2CYP3A4ALDH1A1PTAFR | |
| SCHEMBL8477330 | 0.80 | FFAR1 (0.49) | CYP11B1CYP11B2CYP3A4FFAR1PTAFR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0865431-A2 | COMPOUNDS | Astra Pharmaceuticals Limited (GB) | 1998-09-23 | — | — | EP | disclosed |
| WO-1997020815-A1 | COMPOUNDS | ASTRA PHARMACEUTICALS LTD. (GB) | 1997-06-12 | — | — | WO | disclosed |