Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 6/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | RXRB | P28702 | 1/20 | 0.31 |
| ▸ | ADH5 | P11766 | 1/20 | 0.30 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | ACACB | O00763 | 1/20 | 0.30 |
| ▸ | ACACA | Q13085 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10308946 | 0.81 | NOTUM (0.41) | S1PR1S1PR3KMT2ANOTUM | |
| SCHEMBL481728 | 0.77 | S1PR1 (0.44) | S1PR1S1PR3CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL10726692 | 0.77 | ALDH1A1 (0.53) | CYP2C9CYP2C19ALDH1A1KMT2ATP53 | |
| SCHEMBL10308903 | 0.74 | KDM4E (0.35) | S1PR1S1PR3ALDH1A1KMT2ANOTUM | |
| SCHEMBL10727144 | 0.74 | NPC1 (0.46) | ALDH1A1KMT2A | |
| SCHEMBL4764893 | 0.73 | NPC1 (0.35) | S1PR1S1PR3 | |
| SCHEMBL16181412 | 0.73 | NISCH (0.44) | CYP2C9CYP2C19 | |
| SCHEMBL15942236 | 0.73 | TSHR (0.43) | CYP2C9CYP2C19ALDH1A1KMT2A | |
| SCHEMBL10308948 | 0.73 | ALDH1A1 (0.45) | ALDH1A1KMT2ANOTUMTP53 | |
| SCHEMBL26110328 | 0.72 | ADH5 (0.37) | CYP19A1CYP2C9CYP2C19ALDH1A1KMT2A |
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-2011029027-A1 | SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2011-03-10 | — | — | WO | disclosed |