Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.35 |
| ▸ | CDK8 | P49336 | 7/20 | 0.35 |
| ▸ | CDK19 | Q9BWU1 | 7/20 | 0.35 |
| ▸ | SMO | Q99835 | 1/20 | 0.35 |
| ▸ | CCNC | P24863 | 4/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | PDCD1LG2 | Q9BQ51 | 1/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.34 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9963258 | 0.94 | CYP2D6 (0.48) | CYP2D6LMNACHRM2ADRA2ATSHR | |
| SCHEMBL21776108 | 0.88 | LMNA (0.42) | CYP2D6LMNACHRM2ADRA2ATSHR | |
| SCHEMBL21451536 | 0.87 | LMNA (0.41) | CYP2D6LMNACHRM2ADRA2ATSHR | |
| SCHEMBL29341677 | 0.84 | CYP2D6 (0.46) | CYP2D6LMNACHRM2ADRA2ATSHR | |
| SCHEMBL18848901 | 0.80 | LMNA (0.45) | CYP2D6LMNACHRM2ADRA2ATSHR | |
| SCHEMBL20111960 | 0.80 | LMNA (0.50) | CYP2D6LMNACHRM2ADRA2ATSHR | |
| SCHEMBL25015103 | 0.78 | LMNA (0.46) | CYP2D6LMNACHRM2ADRA2ATSHR | |
| SCHEMBL18896609 | 0.78 | LMNA (0.43) | CYP2D6LMNACHRM2ADRA2ATSHR | |
| SCHEMBL21776132 | 0.77 | LMNA (0.51) | CYP2D6LMNACHRM2ADRA2ATSHR | |
| SCHEMBL22770864 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3515916-B1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS INC (US) | 2023-06-07 | — | — | EP | disclosed |
| US-20200172546-A1 | PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS | RELAY THERAPEUTICS, INC. | 2020-06-04 | — | — | US | disclosed |
| WO-2018057884-A1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2018-03-29 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20200172546-A1 | PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS | PTPRJ, PTPN2, PTPN5 | CYP2D6 3453/4885LMNA 4743/4885CHRM2 4686/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.