Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | BRD4 | O60885 | 2/20 | 0.34 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | SCN4A | P35499 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL6766113 | 0.86 | PTGS2 (0.37) | PTGS2CYP3A4BRD4ERBB2PTGS1 | |
| SCHEMBL6765715 | 0.86 | ERBB2 (0.44) | PTGS2CYP3A4BRD4ERBB2PTGS1 | |
| SCHEMBL2491302 | 0.79 | RARA (0.43) | CYP3A4ERBB2NPC1RAB9AKDM4E | |
| SCHEMBL2490531 | 0.79 | CYP3A4 (0.54) | PTGS2CYP3A4ERBB2EGFRADORA2A | |
| SCHEMBL2490533 | 0.79 | CYP3A4 (0.54) | PTGS2CYP3A4ERBB2EGFRADORA2A | |
| SCHEMBL2492954 | 0.77 | IKBKB (0.40) | CYP3A4ERBB2KDM4EEGFRADORA2A | |
| SCHEMBL6832451 | 0.77 | CYP3A4 (0.52) | PTGS2CYP3A4ERBB2 | |
| SCHEMBL6832515 | 0.76 | CYP3A4 (0.43) | PTGS2CYP3A4 | |
| SCHEMBL10134543 | 0.73 | ITK (0.41) | RAB9AKDM4EALDH1A1HPGDGAA | |
| SCHEMBL2489645 | 0.73 | CYP3A4 (0.73) | CYP3A4ERBB2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8178547-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2012-05-15 | — | — | US | disclosed |
| US-20100158860-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | STEINER SANDRA | 2010-06-24 | — | — | 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 (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-20100158860-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | RFC1, RRP1B, RRBP1 | PTGS2 4240/4885CYP3A4 978/4885BRD4 1073/4885 |
“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.