Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STAT3 | P40763 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TRPM2 | O94759 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23959619 | 1.00 | STAT3 (0.33) | STAT3CYP2C19CYP2C9TRPM2KMT2A | |
| SCHEMBL23959581 | 0.86 | ALDH1A1 (0.36) | KMT2ACCNA2CDK2NPC1RAB9A | |
| SCHEMBL24878671 | 0.81 | IDO1 (0.36) | STAT3CYP2C19CYP2C9TRPM2KMT2A | |
| SCHEMBL24878539 | 0.81 | IDO1 (0.36) | STAT3CYP2C19CYP2C9TRPM2KMT2A | |
| SCHEMBL21995752 | 0.76 | TRPM2 (0.33) | STAT3TRPM2KMT2AADORA1NPC1 | |
| SCHEMBL22054063 | 0.75 | ADORA1 (0.33) | KMT2AADORA1ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL21752547 | 0.75 | TRPM2 (0.45) | STAT3CYP2C19TRPM2ALDH1A1SMN1; SMN2 | |
| SCHEMBL16006803 | 0.75 | TRPM2 (0.47) | STAT3CYP2C19TRPM2KMT2AALDH1A1 | |
| SCHEMBL14487962 | 0.75 | MEN1 (0.34) | CYP2C19CYP2C9KMT2ANPC1RAB9A | |
| SCHEMBL21995948 | 0.74 | TRPM2 (0.36) | STAT3CYP2C19CYP2C9TRPM2KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210330676-A1 | NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2021-10-28 | — | — | US | 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-20210330676-A1 | NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS | IDO1, IDO2, KYNU | STAT3 4395/4885CYP2C19 435/4885CYP2C9 606/4885 |
“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.