Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
| ▸ | TYMS | P04818 | 2/20 | 0.41 |
| ▸ | PTGIR | P43119 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | FABP4 | P15090 | 1/20 | 0.41 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.40 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21383525 | 0.81 | HDAC1 (0.47) | HDAC1HDAC6GAAKEAP1SIGMAR1 | |
| SCHEMBL29483476 | 0.80 | ALDH1A1 (0.60) | HDAC1HDAC6GAASIGMAR1ALDH1A1 | |
| SCHEMBL28743846 | 0.80 | ALDH1A1 (0.60) | HDAC1HDAC6GAASIGMAR1ALDH1A1 | |
| SCHEMBL31371062 | 0.78 | SIGMAR1 (0.40) | GAASIGMAR1ALDH1A1ALOX15TSHR | |
| SCHEMBL28739054 | 0.76 | SMN1; SMN2 (0.52) | GAASIGMAR1ALDH1A1L3MBTL1SMN1; SMN2 | |
| SCHEMBL29644416 | 0.76 | SMN1; SMN2 (0.52) | GAASIGMAR1ALDH1A1L3MBTL1SMN1; SMN2 | |
| SCHEMBL3797439 | 0.75 | HDAC1 (0.60) | HDAC1HDAC6GAASIGMAR1ALDH1A1 | |
| SCHEMBL1556025 | 0.75 | HDAC1 (0.60) | HDAC1HDAC6ADRB2ADRB1ADRB3 | |
| SCHEMBL30714199 | 0.73 | L3MBTL1 (0.41) | GAASIGMAR1ALDH1A1L3MBTL1FABP4 | |
| SCHEMBL957751 | 0.73 | LMNA (0.48) | HDAC1HDAC6GAAALDH1A1L3MBTL1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12138263-B2 | Pyrazolo[3,4-b]pyrazine SHP2 phosphatase inhibitors and methods of use thereof | RELAY THERAPEUTICS, INC. (US) | 2024-11-12 | — | — | US | disclosed |
| US-20210069188-A1 | PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | D. E. SHAW RESEARCH, LLC | 2021-03-11 | — | — | US | disclosed |
| EP-3768680-A1 | PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | Relay Therapeutics, Inc. (US) | 2021-01-27 | — | — | EP | disclosed |
| WO-2019183364-A1 | PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2019-09-26 | — | — | WO | disclosed |
| WO-2019183364-A1 | PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2019-09-26 | — | — | 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 (2 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-20210069188-A1 | PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | PTPN2, PTPN5, PTPRJ | HDAC1 476/4885HDAC6 359/4885GAA 1085/4885 |
| US-12138263-B2 | Pyrazolo[3,4-b]pyrazine SHP2 phosphatase inhibitors and methods of use thereof | PTPN2, PTPN5, PTPRJ | HDAC1 476/4885HDAC6 359/4885GAA 1085/4885 |
“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.