Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP51A1 | Q16850 | 4/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.37 |
| ▸ | SMO | Q99835 | 2/20 | 0.34 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.34 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.33 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.33 |
| ▸ | SCN1A | P35498 | 1/20 | 0.33 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.33 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.33 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.33 |
| ▸ | ALB | P02768 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30874461 | 0.87 | CYP51A1 (0.49) | CYP51A1CA1CA2CA5ACA9 | |
| SCHEMBL19925352 | 0.83 | CYP51A1 (0.46) | CYP51A1CA1CA2CA5ACA9 | |
| SCHEMBL15290259 | 0.79 | PTGS2 (0.44) | CYP51A1CA1CA2CA5ACA9 | |
| SCHEMBL26220277 | 0.79 | NOS3 (0.50) | CYP51A1CA1CA2CA5ACA9 | |
| SCHEMBL13653936 | 0.79 | CA2 (0.46) | CYP51A1CA1CA2CA5ACA9 | |
| SCHEMBL30906028 | 0.79 | CYP51A1 (0.44) | CYP51A1CA1CA2CA5ACA9 | |
| SCHEMBL15590856 | 0.78 | CYP51A1 (0.49) | CYP51A1CA1CA2CA5ACA9 | |
| Hydrochloric Acid SCHEMBL19925268 | 0.78 | NOS3 (0.52) | CYP51A1CA1CA2CA5ACA9 | |
| SCHEMBL16748959 | 0.76 | CA1 (0.58) | CYP51A1CA1CA2CA5ACA9 | |
| SCHEMBL14394949 | 0.76 | CYP3A4 (0.49) | CYP51A1CA1CA2TP53PTGS2 |
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-3619216-A1 | RAPAMYCIN ANALOGS AS MTOR INHIBITORS | Revolution Medicines, Inc. (US) | 2020-03-11 | — | — | EP | disclosed |
| WO-2018204416-A1 | RAPAMYCIN ANALOGS AS MTOR INHIBITORS | Revolution Medicines, Inc. (US) | 2018-11-08 | — | — | WO | disclosed |