Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | RXRB | P28702 | 1/20 | 0.37 |
| ▸ | RXRG | P48443 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL30989545 | 0.88 | CA5A (0.43) | HSP90AA1HSP90AB1ALDH1A1MEN1KMT2A | |
| SCHEMBL17858833 | 0.85 | HSP90AA1 (0.47) | HSP90AA1HSP90AB1NPC1RAB9AALDH1A1 | |
| SCHEMBL27250198 | 0.81 | HSP90AA1 (0.43) | HSP90AA1HSP90AB1NPC1ALDH1A1HPGD | |
| SCHEMBL23411999 | 0.80 | GPBAR1 (0.44) | HSP90AA1HSP90AB1HPGDMAPTCA5A | |
| SCHEMBL29723389 | 0.80 | GPBAR1 (0.44) | HSP90AA1HSP90AB1HPGDMAPTCA5A | |
| SCHEMBL5762468 | 0.80 | NPC1 (0.50) | NPC1RAB9AALDH1A1HPGDMAPT | |
| SCHEMBL26919214 | 0.79 | ALOX15 (0.47) | ALDH1A1MAPTCA5AL3MBTL1POLB | |
| SCHEMBL16406338 | 0.76 | HSP90AA1 (0.46) | HSP90AA1HSP90AB1NPC1ALDH1A1HPGD | |
| SCHEMBL21212120 | 0.76 | HPGD (0.51) | ALDH1A1HPGDMAPTMEN1KMT2A | |
| SCHEMBL26918823 | 0.75 | KDM4E (0.42) | ALDH1A1HPGDMAPTL3MBTL1POLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-118974038-A | Heterocyclic compounds and methods of use | 薛定谔公司 | 2024-11-15 | — | — | CN | disclosed |
| US-20230348424-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | SCHRÖDINGER, INC. | 2023-11-02 | — | — | US | disclosed |
| US-20230348424-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | SCHRÖDINGER, INC. | 2023-11-02 | — | — | US | disclosed |
| WO-2023150291-A2 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | SCHRÖDINGER, INC. (US) | 2023-08-10 | — | — | 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-20230348424-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | APC, RCC2, CDC37 | HSP90AA1 392/4885HSP90AB1 351/4885NPC1 590/4885 |
“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.