Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.48 |
| ▸ | HRH1 | P35367 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.43 |
| ▸ | MAOA | P21397 | 4/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4469506 | 0.79 | EPHX1 (0.55) | SLC6A2SLC6A4SLC6A3TAAR1SIGMAR1 | |
| SCHEMBL7164865 | 0.78 | HTR2A (0.52) | HTR2AHRH1TDP1ALDH1A1TSHR | |
| SCHEMBL14292431 | 0.77 | SIGMAR1 (0.53) | HTR2AHRH1TDP1ALDH1A1TSHR | |
| SCHEMBL555264 | 0.77 | SIGMAR1 (0.53) | HTR2AHRH1TDP1ALDH1A1TSHR | |
| SCHEMBL172909 | 0.75 | EPHX1 (0.64) | HTR2AHRH1TDP1ALDH1A1TSHR | |
| SCHEMBL13060807 | 0.75 | OPRK1 (0.55) | HTR2AHRH1TDP1ALDH1A1TSHR | |
| SCHEMBL172932 | 0.75 | EPHX1 (0.64) | HTR2AHRH1TDP1ALDH1A1TSHR | |
| SCHEMBL1205954 | 0.75 | HTR2A (0.48) | HTR2AHRH1TDP1ALDH1A1TSHR | |
| SCHEMBL1205950 | 0.75 | HTR2A (0.48) | HTR2AHRH1TDP1ALDH1A1TSHR | |
| SCHEMBL6274651 | 0.75 | OPRK1 (0.55) | HTR2AHRH1TDP1ALDH1A1TSHR |
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-7026324-B2 | Thrombin inhibitors | MERCK & CO., INC. (US) | 2006-04-11 | — | — | US | disclosed |
| US-20040097730-A1 | Thrombin inhibitors | MERCK & CO., INC. | 2004-05-20 | — | — | 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-20040097730-A1 | Thrombin inhibitors | F3, F2, SERPINC1 | HTR2A 2718/4885HRH1 1093/4885TDP1 2827/4885 |
“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.