Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | PNMT | P11086 | 1/20 | 0.31 |
| ▸ | GPR139 | Q6DWJ6 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL21388623 | 0.86 | KDM4E (0.35) | SLC6A2TAAR1MAOASLC6A4SLC6A3 | |
| SCHEMBL15077047 | 0.83 | GPR139 (0.35) | SLC6A2CYP1A2CYP3A4GPR139ALDH1A1 | |
| SCHEMBL4884620 | 0.71 | — | — | |
| SCHEMBL26985723 | 0.71 | — | — | |
| SCHEMBL25516018 | 0.71 | SLC6A2 (0.44) | SLC6A2TAAR1MAOASLC6A4SLC6A3 | |
| SCHEMBL19570333 | 0.71 | HTR2A (0.36) | MAOASLC6A4CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL12190492 | 0.68 | KDM4E (0.37) | CYP1A2CYP3A4CYP2D6ALDH1A1LMNA | |
| SCHEMBL24579784 | 0.67 | PNMT (0.36) | SLC6A2TAAR1MAOASLC6A4SLC6A3 | |
| SCHEMBL28386141 | 0.67 | TAAR1 (0.34) | SLC6A2TAAR1MAOASLC6A4SLC6A3 | |
| SCHEMBL15558650 | 0.67 | GSK3A (0.39) | GPR139ALDH1A1 |
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 |
| WO-2022251497-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | SCHRÖDINGER, INC. (US) | 2022-12-01 | — | — | WO | disclosed |
| WO-2021219072-A1 | PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR | 上海科州药物研发有限公司 (CN) | 2021-11-04 | — | — | 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 | SLC6A2 4565/4885TAAR1 4760/4885MAOA 2410/4885 |
“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.