Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 3/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | LIPC | P11150 | 1/20 | 0.35 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | S1PR5 | Q9H228 | 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 | |
|---|---|---|---|---|
| SCHEMBL15866116 | 0.89 | OPRD1 (0.35) | OPRM1OPRL1OPRD1OPRK1S1PR1 | |
| SCHEMBL19635882 | 0.83 | OPRM1 (0.51) | OPRM1OPRL1DPP4SIGMAR1ALDH1A1 | |
| SCHEMBL19635879 | 0.72 | TSHR (0.43) | MEN1ALDH1A1KMT2A | |
| SCHEMBL14461138 | 0.72 | OPRM1 (0.40) | OPRM1OPRL1ABL1RIN1MEN1 | |
| SCHEMBL21598847 | 0.71 | OPRM1 (0.53) | OPRM1OPRL1DPP4SIGMAR1ALDH1A1 | |
| SCHEMBL19214942 | 0.70 | CTSL (0.47) | OPRM1OPRL1DPP4SIGMAR1 | |
| SCHEMBL15866127 | 0.69 | TSHR (0.51) | DPP4MEN1ALDH1A1RAB9AKMT2A | |
| SCHEMBL13145852 | 0.68 | DRD2 (0.49) | ABL1RIN1SIGMAR1S1PR1S1PR5 | |
| SCHEMBL19975918 | 0.67 | S1PR5 (0.47) | ABL1RIN1S1PR1S1PR5 | |
| SCHEMBL11169359 | 0.67 | NPC1 (0.39) | MEN1ALDH1A1RAB9AKMT2AS1PR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017198049-A1 | PYRAZOLOPYRIMIDINE DERIVATIVE AS BTK INHIBITOR AND PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION THEREOF | 浙江予川医药科技有限公司 | 2017-11-23 | — | — | WO | disclosed |
| WO-2017198050-A1 | 5-AMINOPYRAZOLE CARBOXAMIDE DERIVATIVE AS BTK INHIBITOR AND PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION THEREOF | 浙江予川医药科技有限公司 | 2017-11-23 | — | — | WO | disclosed |