Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 6/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 6/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
| ▸ | RXRB | P28702 | 1/20 | 0.36 |
| ▸ | RXRG | P48443 | 1/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.36 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
| ▸ | PTAFR | P25105 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8552531 | 0.87 | MEN1 (0.36) | AAK1CTSSCYP11B1CYP11B2S1PR4 | |
| SCHEMBL8477349 | 0.87 | MEN1 (0.36) | AAK1CTSSCYP11B1CYP11B2S1PR4 | |
| SCHEMBL8479518 | 0.82 | S1PR1 (0.45) | AAK1CYP3A4S1PR1CTSSCYP11B1 | |
| SCHEMBL8551234 | 0.82 | S1PR1 (0.45) | AAK1CYP3A4S1PR1CTSSCYP11B1 | |
| SCHEMBL8481640 | 0.81 | GRIN1 (0.39) | CYP3A4CYP11B1CYP11B2PTAFRKDM4E | |
| SCHEMBL7771946 | 0.78 | GRIN2B (0.42) | CYP3A4PTAFRGRIN1GRIN2B | |
| SCHEMBL7771945 | 0.78 | GRIN2B (0.42) | CYP3A4PTAFRGRIN1GRIN2B | |
| SCHEMBL7773953 | 0.76 | HRH4 (0.37) | CYP3A4PTAFRALDH1A1GRIN1GRIN2B | |
| SCHEMBL7773954 | 0.76 | HRH4 (0.37) | CYP3A4PTAFRALDH1A1GRIN1GRIN2B | |
| SCHEMBL7766496 | 0.76 | MEN1 (0.39) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5977105-A | Compounds | ASTRA PHARMAEUTICALS LTD. (GB) | 1999-11-02 | — | — | US | disclosed |
| 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 |