Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 3/20 | 0.63 |
| ▸ | CTSK | P43235 | 3/20 | 0.63 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.45 |
| ▸ | RELA | Q04206 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7084925 | 1.00 | CTSS (0.63) | CTSSCTSKAAK1KMT2ANFKB1 | |
| SCHEMBL14151599 | 1.00 | CTSS (0.63) | CTSSCTSKAAK1KMT2ANFKB1 | |
| SCHEMBL16228708 | 0.94 | CTSS (0.57) | CTSSCTSKAAK1KMT2ANFKB1 | |
| SCHEMBL1863337 | 0.94 | CTSS (0.57) | CTSSCTSKAAK1KMT2ANFKB1 | |
| SCHEMBL12632054 | 0.94 | CTSS (0.57) | CTSSCTSKAAK1KMT2ANFKB1 | |
| SCHEMBL3609923 | 0.94 | CTSS (0.57) | CTSSCTSKAAK1KMT2ANFKB1 | |
| SCHEMBL28283598 | 0.94 | CTSS (0.57) | CTSSCTSKAAK1KMT2ANFKB1 | |
| SCHEMBL19385461 | 0.94 | CTSK (0.63) | CTSSCTSKAAK1KMT2ANFKB1 | |
| SCHEMBL29414317 | 0.94 | CTSK (0.60) | CTSSCTSKAAK1KMT2ANFKB1 | |
| SCHEMBL4576713 | 0.94 | CTSK (0.63) | CTSSCTSKAAK1KMT2ANFKB1 |
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-7144899-B2 | Thrombin inhibitors | MERCK & CO., INC. (US) | 2006-12-05 | — | — | US | disclosed |
| WO-2004032834-A2 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2004-04-22 | — | — | WO | disclosed |
| US-20040073025-A1 | Thrombin inhibitors | MERCK SHARP & DOHME CORP. | 2004-04-15 | — | — | US | disclosed |
| WO-2002064559-A2 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2002-08-22 | — | — | 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-20040073025-A1 | Thrombin inhibitors | F2, F11, F10 | CTSS 283/4885CTSK 781/4885AAK1 3658/4885 |
“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.