Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | LAP3 | P28838 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | SCN4A | P35499 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12459378 | 0.85 | SIGMAR1 (0.46) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL18489459 | 0.85 | SIGMAR1 (0.46) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL11992709 | 0.79 | TRPA1 (0.44) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL22856977 | 0.78 | SIGMAR1 (0.41) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL18867297 | 0.78 | TRPA1 (0.50) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL6014630 | 0.78 | TAAR1 (0.45) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL9342651 | 0.76 | ALDH1A1 (0.43) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL367321 | 0.74 | SRR (0.39) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL28425423 | 0.73 | SIGMAR1 (0.43) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL8281058 | 0.73 | SIGMAR1 (0.43) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240279221-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | SCHROEDINGER INC (US) | 2024-08-22 | — | — | US | disclosed |
| EP-4346815-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | Schrödinger, Inc. (US) | 2024-04-10 | — | — | EP | disclosed |
| CN-117715642-A | Heterocyclic compounds and methods of use | 薛定谔公司 | 2024-03-15 | — | — | CN | disclosed |
| WO-2022251497-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | SCHRÖDINGER, INC. (US) | 2022-12-01 | — | — | 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-20240279221-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | APC, RCC2, CDC37 | SIGMAR1 3243/4885TAAR1 4760/4885SLC6A2 4565/4885 |
“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.