Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.39 |
| ▸ | TYK2 | P29597 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | KDR | P35968 | 4/20 | 0.36 |
| ▸ | FLT1 | P17948 | 2/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | CSF1R | P07333 | 1/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.36 |
| ▸ | KIT | P10721 | 1/20 | 0.36 |
| ▸ | FLT4 | P35916 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 2/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.35 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.34 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.34 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL377350 | 0.77 | CTSS (0.51) | GPBAR1CTSSTAS1R3TAS1R1TAS1R2 | |
| SCHEMBL29723227 | 0.77 | CTSS (0.51) | GPBAR1CTSSTAS1R3TAS1R1TAS1R2 | |
| SCHEMBL21132665 | 0.76 | PDK2 (0.41) | CTSSTAS1R3TAS1R1TAS1R2PDK2 | |
| SCHEMBL27190843 | 0.76 | GABRA1 (0.36) | GPBAR1USP2RAB9AP2RX7 | |
| SCHEMBL29092859 | 0.74 | PTGS1 (0.40) | CTSSRXFP1TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL19726595 | 0.74 | CA2 (0.43) | CTSSTAS1R3TAS1R1TAS1R2PDK2 | |
| SCHEMBL25389241 | 0.73 | RAB9A (0.34) | TYK2EGFRUSP2RAB9A | |
| SCHEMBL29985884 | 0.73 | RAB9A (0.34) | TYK2EGFRUSP2RAB9A | |
| SCHEMBL29723392 | 0.73 | PDK2 (0.41) | CTSSTAS1R3TAS1R1TAS1R2PDK2 | |
| SCHEMBL23412079 | 0.73 | PDK2 (0.41) | CTSSTAS1R3TAS1R1TAS1R2PDK2 |
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 | GPBAR1 1001/4885TYK2 4002/4885HTT 2741/4885 |
“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.