Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 6/20 | 0.44 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | ATM | Q13315 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2069432 | 0.80 | ADORA3 (0.46) | ADORA3ADORA2AADORA1ADORA2BNPC1 | |
| SCHEMBL24786993 | 0.76 | FOS (0.49) | ADORA3ADORA2AADORA1ADORA2BKDM4E | |
| SCHEMBL24786994 | 0.76 | ADORA2A (0.43) | ADORA3ADORA2AADORA1ADORA2BNPC1 | |
| SCHEMBL24786992 | 0.76 | ADORA1 (0.43) | ADORA3ADORA2AADORA1ADORA2BNPC1 | |
| SCHEMBL27933640 | 0.74 | KDM4E (0.46) | ADORA3ADORA2AADORA1ADORA2BNPC1 | |
| SCHEMBL2068779 | 0.72 | ALDH1A1 (0.56) | ADORA3ADORA2AADORA1ADORA2BNPC1 | |
| SCHEMBL22573374 | 0.71 | KDM4E (0.47) | ADORA3ADORA2ANPC1RAB9AATM | |
| SCHEMBL10590818 | 0.70 | RAB9A (0.49) | NPC1RAB9AATMKDM4EALDH1A1 | |
| SCHEMBL32670806 | 0.70 | MEN1 (0.42) | ADORA2AADORA1NPC1RAB9AKDM4E | |
| SCHEMBL27110794 | 0.70 | KDM4E (0.50) | NPC1RAB9AATMKDM4EALDH1A1 |
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-9422271-B2 | Pyrimidine compounds as tuberculosis inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-08-23 | — | — | US | disclosed |
| US-20140249137-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-09-04 | — | — | US | disclosed |
| US-20110053916-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-03-03 | — | — | 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 (2 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-20140249137-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | TYMS, TYMP, DPYD | ADORA3 585/4885ADORA2A 984/4885ADORA1 561/4885 |
| US-20110053916-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | TYMS, TYMP, DPYD | ADORA3 585/4885ADORA2A 984/4885ADORA1 561/4885 |
“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.