Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 3/20 | 0.38 |
| ▸ | NOS1 | P29475 | 3/20 | 0.38 |
| ▸ | NOS2 | P35228 | 3/20 | 0.38 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.34 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.33 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL31501775 | 1.00 | NOS3 (0.38) | NOS3NOS1NOS2CRHR1UHRF1 | |
| SCHEMBL15243536 | 0.79 | NOS3 (0.45) | NOS3NOS1NOS2ALDH1A1KDM4E | |
| SCHEMBL20911927 | 0.76 | AGBL2 (0.40) | CRHR1ALDH1A1KDM4ECYP2A6NPC1 | |
| SCHEMBL17729276 | 0.76 | ALDH1A1 (0.34) | LMNAALDH1A1HSP90AA1KDM4ENPC1 | |
| SCHEMBL31501746 | 0.76 | NSD2 (0.36) | ALDH1A1KDM4E | |
| SCHEMBL27042158 | 0.76 | NSD2 (0.36) | ALDH1A1KDM4E | |
| SCHEMBL2406888 | 0.74 | PDK1 (0.46) | MAP4K4PDK1ALDH1A1KDM4ENPC1 | |
| SCHEMBL16685761 | 0.73 | FYN (0.42) | LMNAPDK1ALDH1A1CYP2A6 | |
| SCHEMBL14927153 | 0.73 | CYP2A6 (0.62) | PDK1ALDH1A1HSP90AA1CYP2A6 | |
| SCHEMBL31501736 | 0.72 | HTR5A (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20260049085-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | SCHRÖDINGER, INC. (US) | 2026-02-19 | — | — | US | disclosed |
| EP-4558505-A2 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | Schrödinger, Inc. (US) | 2025-05-28 | — | — | EP | disclosed |
| WO-2024020534-A2 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | SCHRÖDINGER, INC. (US) | 2024-01-25 | — | — | 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-20260049085-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | CCR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MALT1 | NOS3 1588/4885NOS1 2548/4885NOS2 3022/4885 |
“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.