Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 4/20 | 0.41 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.37 |
| ▸ | REN | P00797 | 2/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | XIAP | P98170 | 1/20 | 0.34 |
| ▸ | BIRC3 | Q13489 | 1/20 | 0.34 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.34 |
| ▸ | ACE | P12821 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4307660 | 0.93 | CACNA1B (0.40) | CACNA1BCTSLAAK1RENCTSB | |
| SCHEMBL2426240 | 0.89 | KLK5 (0.40) | CACNA1BKLK5CTSLRENCTSB | |
| SCHEMBL8227117 | 0.83 | USP30 (0.43) | USP30ABCB1 | |
| SCHEMBL4294862 | 0.83 | ACE (0.40) | CACNA1BKLK5CTSLRENCTSB | |
| SCHEMBL2430509 | 0.80 | CACNA1B (0.39) | CACNA1BKLK5CTSLAAK1REN | |
| SCHEMBL8228152 | 0.74 | CYP3A4 (0.38) | CYP3A4THRBHSD17B10 | |
| SCHEMBL2431251 | 0.74 | ABCB1 (0.34) | ABCB1XIAPBIRC3BIRC2 | |
| SCHEMBL2427392 | 0.74 | F2 (0.35) | ABCB1CYP3A4THRBHSD17B10 | |
| Hydrochloric Acid SCHEMBL2429662 | 0.74 | CYP3A4 (0.38) | CYP3A4THRBHSD17B10 | |
| SCHEMBL8241586 | 0.74 | ELANE (0.40) | CACNA1BKLK5CTSLAAK1CTSK |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8314062-B2 | Macrocyclic compounds as antiviral agents | INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2012-11-20 | — | — | US | disclosed |
| US-8314062-B2 | Macrocyclic compounds as antiviral agents | INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2012-11-20 | — | — | US | disclosed |
| EP-2041159-B1 | MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS | ANGELETTI P IST RICHERCHE BIO (IT) | 2011-09-28 | — | — | EP | disclosed |
| US-20090312241-A1 | Macrocyclic Compounds as Antiviral Agents | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2009-12-17 | — | — | US | disclosed |
| US-20090312241-A1 | Macrocyclic Compounds as Antiviral Agents | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2009-12-17 | — | — | 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-20090312241-A1 | Macrocyclic Compounds as Antiviral Agents | ZC3HAV1, ZC3HAV1L, HAVCR2 | CACNA1B 3771/4885KLK5 4392/4885CTSL 549/4885 |
“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.