Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TMEM97 | Q5BJF2 | 6/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.43 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.43 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | ESRRB | O95718 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESRRA | P11474 | 1/20 | 0.41 |
| ▸ | ESRRG | P62508 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28528615 | 0.92 | GPR119 (0.47) | TMEM97SIGMAR1MEN1KMT2ANPSR1 | |
| SCHEMBL29058862 | 0.88 | TMEM97 (0.44) | TMEM97SIGMAR1PARP1MEN1KMT2A | |
| SCHEMBL25338897 | 0.84 | SMN1; SMN2 (0.50) | PARP1MEN1KMT2ANPSR1SMN1; SMN2 | |
| SCHEMBL20046470 | 0.84 | SMN1; SMN2 (0.50) | PARP1MEN1KMT2ANPSR1SMN1; SMN2 | |
| SCHEMBL31291575 | 0.82 | KMT2A (0.52) | SIGMAR1PARP1MEN1KMT2ANPSR1 | |
| SCHEMBL30179036 | 0.81 | SMN1; SMN2 (0.53) | PARP1SMN1; SMN2NPC1RAB9ACYP2C19 | |
| SCHEMBL30602886 | 0.81 | SMN1; SMN2 (0.53) | PARP1SMN1; SMN2NPC1RAB9ACYP2C19 | |
| SCHEMBL26705305 | 0.81 | SMN1; SMN2 (0.53) | PARP1SMN1; SMN2NPC1RAB9ACYP2C19 | |
| SCHEMBL29132380 | 0.81 | SMN1; SMN2 (0.54) | PARP1MEN1KMT2ANPSR1SMN1; SMN2 | |
| SCHEMBL29579133 | 0.81 | SMN1; SMN2 (0.49) | PARP1MEN1KMT2ANPSR1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112010858-B | BTK inhibitor, preparation method and pharmaceutical application thereof | 四川海思科制药有限公司 | 2023-07-18 | — | — | CN | disclosed |
| CN-112010858-A | BTK inhibitor, preparation method and pharmaceutical application thereof | 四川海思科制药有限公司 | 2020-12-01 | — | — | CN | disclosed |