Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.46 |
| ▸ | NOS2 | P35228 | 2/20 | 0.46 |
| ▸ | CCR1 | P32246 | 2/20 | 0.44 |
| ▸ | CCR5 | P51681 | 2/20 | 0.44 |
| ▸ | CCR8 | P51685 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | METAP2 | P50579 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL12918280 | 0.80 | NOS3 (0.48) | NOS3NOS2CCR1CCR5CCR8 | |
| SCHEMBL19984394 | 0.78 | CCR1 (0.44) | NOS3NOS2CCR1CCR5CCR8 | |
| SCHEMBL146646 | 0.77 | CCR1 (0.52) | NOS3NOS2CCR1CCR5CCR8 | |
| SCHEMBL17819470 | 0.75 | NOS3 (0.43) | NOS3NOS2CCR1CCR5CCR8 | |
| SCHEMBL24922473 | 0.75 | CCR1 (0.50) | NOS3NOS2CCR1CCR5CCR8 | |
| SCHEMBL26074319 | 0.73 | CCR1 (0.48) | NOS3NOS2CCR1CCR5CCR8 | |
| SCHEMBL29497498 | 0.73 | TRPV4 (0.58) | NOS3NOS2CCR1CCR5CCR8 | |
| SCHEMBL10284327 | 0.73 | CCR1 (0.48) | NOS3NOS2CCR1CCR5CCR8 | |
| SCHEMBL130934 | 0.73 | TRPV4 (0.58) | NOS3NOS2CCR1CCR5CCR8 | |
| SCHEMBL14484777 | 0.72 | NOS3 (0.41) | NOS3NOS2CCR1CCR5CCR8 |
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-20200290992-A1 | Deuterium-Substituted Pyridin- And Pyrimidin-2-yl-Methylamine Compounds | AUSPEX PHARMACEUTICALS, INC. | 2020-09-17 | — | — | US | disclosed |
| US-10626105-B2 | Deuterium-substituted pyridin- and pyrimidin-2-yl-methylamine compounds | AUSPEX PHARMACEUTICALS, INC. (US) | 2020-04-21 | — | — | US | disclosed |
| US-20180079742-A1 | Deuterium-Substituted Pyridin- And Pyrimidin-2-yl-Methylamine Compounds | AUSPEX PHARMACEUTICALS, INC. | 2018-03-22 | — | — | 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 (3 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-20200290992-A1 | Deuterium-Substituted Pyridin- And Pyrimidin-2-yl-Methylamine Compounds | HTR2C, HTR5A, HTR1A | NOS3 3338/4885NOS2 2830/4885CCR1 2289/4885 |
| US-20180079742-A1 | Deuterium-Substituted Pyridin- And Pyrimidin-2-yl-Methylamine Compounds | HTR2C, HTR5A, HTR1A | NOS3 3338/4885NOS2 2830/4885CCR1 2289/4885 |
| US-10626105-B2 | Deuterium-substituted pyridin- and pyrimidin-2-yl-methylamine compounds | HTR2C, HTR5A, HTR1A | NOS3 3338/4885NOS2 2830/4885CCR1 2289/4885 |
“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.