Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.45 |
| ▸ | CTSK | P43235 | 8/20 | 0.43 |
| ▸ | CTSS | P25774 | 8/20 | 0.43 |
| ▸ | TACR1 | P25103 | 1/20 | 0.43 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.41 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.41 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.41 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.41 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.41 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.41 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.40 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | ACE | P12821 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4244220 | 1.00 | KLK5 (0.45) | KLK5CTSKCTSSTACR1PSEN1 | |
| SCHEMBL8393733 | 0.88 | KLK5 (0.49) | KLK5CTSKCTSSTACR1PSEN1 | |
| SCHEMBL14164209 | 0.85 | KLK5 (0.47) | KLK5CTSKCTSSTACR1PSEN1 | |
| SCHEMBL539351 | 0.84 | KLK5 (0.46) | KLK5CTSKCTSSTACR1GSTP1 | |
| SCHEMBL20397721 | 0.84 | KLK5 (0.46) | KLK5CTSKCTSSTACR1GSTP1 | |
| SCHEMBL539352 | 0.84 | KLK5 (0.46) | KLK5CTSKCTSSTACR1GSTP1 | |
| SCHEMBL4245453 | 0.84 | KLK5 (0.46) | KLK5CTSKCTSSTACR1GSTP1 | |
| SCHEMBL4245013 | 0.81 | KLK5 (0.43) | KLK5CTSKCTSSTACR1PSEN1 | |
| SCHEMBL4245016 | 0.81 | KLK5 (0.43) | KLK5CTSKCTSSTACR1PSEN1 | |
| SCHEMBL4072676 | 0.81 | KLK5 (0.44) | KLK5CTSKCTSSTACR1PSEN1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090124654-A1 | Aryl and Heteroaryl Compounds, Compositions, Methods of Use | TRANSTECH PHARMA, INC. | 2009-05-14 | — | — | US | disclosed |
| EP-1888566-A1 | 2-[(ISOQUINOLIN-3-CARBONYL)AMINO]-PROPIONIC ACID DERIVATIVES AS INHIBITORS OF FACTORS XI AND IX FOR THE TREATMENT OF THROMBOSIS | Transtech Pharma, Inc. (US) | 2008-02-20 | — | — | EP | disclosed |
| US-20070254916-A1 | Aryl and heteroaryl compounds, compositions, and methods of use | MJALLI ADNAN M | 2007-11-01 | — | — | US | disclosed |
| US-7208601-B2 | Aryl and heteroaryl compounds, compositions, and methods of use | TRANSTECH PHARMA, LLC | 2007-04-24 | — | — | US | disclosed |
| WO-2006093823-A9 | 2- [ ISOQUINOLIN-S - CARBONYL ) AMINO] -PROPIONIC ACID DERIVATIVES AS INHIBITORS OF FACTORS XI AND IX FOR THE TREATMENT OF THROMBOSIS | TRANSTECH PHARMA INC (US) | 2006-11-02 | — | — | WO | disclosed |
| WO-2006093823-A1 | 2- [ ISOQUINOLIN-S - CARBONYL ) AMINO] -PROPIONIC ACID DERIVATIVES AS INHIBITORS OF FACTORS XI AND IX FOR THE TREATMENT OF THROMBOSIS | TRANSTECH PHARMA, INC. (US) | 2006-09-08 | — | — | WO | disclosed |
| US-20050171148-A1 | Aryl and heteroaryl compounds, compositions, methods of use | TRANSTECH PHARMA, LLC | 2005-08-04 | — | — | 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-20090124654-A1 | Aryl and Heteroaryl Compounds, Compositions, Methods of Use | F3, F12, CFH | KLK5 2640/4885CTSK 488/4885CTSS 633/4885 |
| US-20070254916-A1 | Aryl and heteroaryl compounds, compositions, and methods of use | TFPI, F9, F3 | KLK5 578/4885CTSK 376/4885CTSS 502/4885 |
| US-20050171148-A1 | Aryl and heteroaryl compounds, compositions, methods of use | TFPI, F3, F2 | KLK5 620/4885CTSK 372/4885CTSS 478/4885 |
“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.