Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | PNMT | P11086 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 5/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1629226 | 0.83 | ALDH1A1 (0.47) | CYP3A4ALDH1A1LMNAIDO1TDO2 | |
| SCHEMBL4987182 | 0.78 | PNMT (0.57) | CYP3A4PNMTCYP1A2CYP2D6NFKB1 | |
| SCHEMBL20796885 | 0.77 | PNMT (0.52) | CYP3A4PNMTCYP1A2CYP2D6NFKB1 | |
| SCHEMBL1872442 | 0.75 | CYP1A2 (0.58) | CYP3A4PNMTCYP1A2CYP2D6NFKB1 | |
| SCHEMBL21303058 | 0.73 | PNMT (0.43) | CYP3A4PNMTCYP1A2CYP2D6NFKB1 | |
| SCHEMBL14833067 | 0.73 | PNMT (0.47) | CYP3A4PNMTCYP1A2CYP2D6NFKB1 | |
| SCHEMBL6049601 | 0.73 | PNMT (0.43) | CYP3A4PNMTCYP1A2CYP2D6NFKB1 | |
| SCHEMBL11082537 | 0.72 | PNMT (0.46) | CYP3A4PNMTCYP1A2CYP2D6NFKB1 | |
| SCHEMBL5617277 | 0.71 | PNMT (0.54) | CYP3A4PNMTCYP1A2CYP2D6NFKB1 | |
| SCHEMBL5933878 | 0.71 | PNMT (0.65) | CYP3A4PNMTCYP1A2CYP2D6NFKB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3755699-A1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | Relay Therapeutics, Inc. (US) | 2020-12-30 | — | — | EP | disclosed |
| US-20200392161-A1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | SCHRÖDINGER, INC. | 2020-12-17 | — | — | US | disclosed |
| US-20200392161-A1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | SCHRÖDINGER, INC. | 2020-12-17 | — | — | US | disclosed |
| WO-2019165073-A1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2019-08-29 | — | — | WO | disclosed |
| WO-2019165073-A1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2019-08-29 | — | — | 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-20200392161-A1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | PTPRCAP, PTPRJ, PTPRC | CYP3A4 4849/4885PNMT 4573/4885CYP1A2 4807/4885 |
“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.