Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.50 |
| ▸ | NOS1 | P29475 | 1/20 | 0.50 |
| ▸ | NOS2 | P35228 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24221641 | 0.98 | NOS3 (0.48) | NOS3NOS1NOS2HTR2BCDK5 | |
| SCHEMBL25061140 | 0.98 | NOS3 (0.48) | NOS3NOS1NOS2HTR2BCDK5 | |
| SCHEMBL11984396 | 0.96 | NOS3 (0.45) | NOS3NOS1NOS2HTR2BCDK5 | |
| SCHEMBL25574578 | 0.79 | NOS3 (0.55) | NOS3NOS1NOS2HTR2BSIGMAR1 | |
| SCHEMBL3328642 | 0.79 | NOS3 (0.50) | NOS3NOS1NOS2HTR2BSIGMAR1 | |
| SCHEMBL23091837 | 0.79 | NOS3 (0.50) | NOS3NOS1NOS2HTR2BSIGMAR1 | |
| SCHEMBL29569615 | 0.79 | NOS3 (0.50) | NOS3NOS1NOS2HTR2BSIGMAR1 | |
| SCHEMBL8567874 | 0.76 | NOS3 (0.47) | NOS3NOS1NOS2HTR2BSIGMAR1 | |
| SCHEMBL8565852 | 0.76 | NOS3 (0.47) | NOS3NOS1NOS2HTR2BSIGMAR1 | |
| SCHEMBL24804486 | 0.76 | PIK3CD (0.33) | HTR2BCYP1A2POLB |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024173343-A1 | COMPOUNDS TARGETING HYDROXYSTEROID 17-BETA DEHYDROGENASE (HSD17B) AND USES THEREOF | REGENERON PHARMACEUTICALS, INC. (US) | 2024-08-22 | — | — | WO | disclosed |
| US-11306088-B2 | CXCR4 inhibitors and uses thereof | X4 PHARMACEUTICALS, INC. (US) | 2022-04-19 | — | — | US | disclosed |
| US-20210047320-A1 | CXCR4 INHIBITORS AND USES THEREOF | X4 PHARMACEUTICALS, INC. | 2021-02-18 | — | — | US | disclosed |
| US-20150094309-A1 | QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | BRISTOL MYERS SQUIBB CO (US) | 2015-04-02 | — | — | US | disclosed |
| US-20130131064-A1 | Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-05-23 | — | — | US | disclosed |
| US-20120035189-A1 | Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands | BRISTOL-MYERS SQUIBB COMPANY | 2012-02-09 | — | — | US | disclosed |
| US-7576098-B2 | Heterocyclic compounds as inhibitors of factor VIIa | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-08-18 | — | — | US | 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 (5 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-20210047320-A1 | CXCR4 INHIBITORS AND USES THEREOF | CXCR4, CXCL12, CXCR3 | NOS3 3466/4885NOS1 3823/4885NOS2 3693/4885 |
| US-20120035189-A1 | Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands | CHRNA7, CHRNA5, CHRNA6 | NOS3 2801/4885NOS1 2447/4885NOS2 3530/4885 |
| US-20130131064-A1 | Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands | CHRNA7, CHRNA5, CHRNA6 | NOS3 2801/4885NOS1 2447/4885NOS2 3530/4885 |
| US-20150094309-A1 | QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | CHRNA7, CHRNA5, CHRNA6 | NOS3 2801/4885NOS1 2447/4885NOS2 3530/4885 |
| US-11306088-B2 | CXCR4 inhibitors and uses thereof | CXCR4, CXCL12, CXCR3 | NOS3 3466/4885NOS1 3823/4885NOS2 3693/4885 |
“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.