Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.34 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | IDH1 | O75874 | 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 | |
|---|---|---|---|---|
| SCHEMBL25777823 | 0.88 | CYP2A6 (0.45) | CYP2A6CYP1A2TRPM8ADRB2ASIC3 | |
| SCHEMBL19067620 | 0.86 | HDAC3 (0.42) | CYP2A6CYP1A2NOS3NOS1NOS2 | |
| SCHEMBL17229329 | 0.81 | AKR1B1 (0.37) | CYP2A6TRPM8ADRB2ASIC3LOXL2 | |
| SCHEMBL6958993 | 0.79 | CYP2A6 (0.50) | CYP2A6CYP1A2TRPM8ADRB2KDM4E | |
| SCHEMBL3463194 | 0.78 | CYP2A6 (0.49) | CYP2A6CYP1A2TRPM8ADRB2ASIC3 | |
| SCHEMBL5962350 | 0.78 | CYP2A6 (0.58) | CYP2A6CYP1A2ADRB2ASIC3LOXL2 | |
| SCHEMBL122572 | 0.78 | CYP2A6 (0.58) | CYP2A6CYP1A2TRPM8ADRB2ASIC3 | |
| SCHEMBL27759975 | 0.78 | CYP2A6 (0.58) | CYP2A6CYP1A2TRPM8ADRB2ASIC3 | |
| SCHEMBL12489953 | 0.76 | CYP2A6 (0.47) | CYP2A6CYP1A2NOS3NOS1NOS2 | |
| SCHEMBL28221396 | 0.75 | CYP2A6 (0.46) | CYP2A6CYP1A2TRPM8ADRB2ASIC3 |
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-9695166-B2 | Pyrazolopyridine pyrazolopyrimidine and related compounds | GLOBAL BLOOD THERAPEUTICS, INC. (US) | 2017-07-04 | — | — | US | disclosed |
| US-8318751-B2 | Pyrimidinone derivatives and methods of use thereof | MERCK SHARP & DOHME CORP. (US) | 2012-11-27 | — | — | US | disclosed |
| US-20100113487-A1 | PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF | MERCK SHARP & DOHME CORP. | 2010-05-06 | — | — | US | disclosed |
| WO-2008130584-A1 | PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF | SCHERING CORPORATION (US) | 2008-10-30 | — | — | 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-20100113487-A1 | PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF | GPR119, GPR180, GPR17 | CYP2A6 2644/4885CYP1A2 1604/4885NOS3 2112/4885 |
“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.