Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.46 |
| ▸ | ECE1 | P42892 | 1/20 | 0.45 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 2/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KDM6B | O15054 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.36 |
| ▸ | TACR3 | P29371 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL996348 | 0.86 | SMPD3 (0.47) | SMPD3ECE1SRCZAP70SYK | |
| SCHEMBL312885 | 0.79 | MAPT (0.35) | CYP19A1CYP11B1CYP11B2CYP1A1CYP1A2 | |
| SCHEMBL13071433 | 0.76 | SMPD3 (0.46) | SMPD3ECE1SRCZAP70SYK | |
| SCHEMBL1023279 | 0.76 | PDE4A (0.39) | CYP19A1CYP11B1CYP11B2TSHRMAPK1 | |
| SCHEMBL2214288 | 0.73 | CYP1A1 (0.46) | SMPD3SRCZAP70SYKCYP19A1 | |
| SCHEMBL10194576 | 0.73 | TYR (0.47) | TSHRMAPK1SMN1; SMN2LMNARAB9A | |
| SCHEMBL6876502 | 0.72 | RXFP1 (0.37) | CYP19A1CYP11B1CYP11B2SMN1; SMN2LMNA | |
| SCHEMBL4902331 | 0.72 | SMPD3 (0.49) | SMPD3ECE1SRCZAP70SYK | |
| SCHEMBL315199 | 0.71 | ALDH1A1 (0.37) | CYP19A1CYP11B1CYP11B2CYP1A1CYP1A2 | |
| SCHEMBL16019226 | 0.70 | SMPD3 (0.58) | SMPD3ECE1SRCZAP70SYK |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7989471-B2 | Macrocyclic inhibitors of hepatitis C virus | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2011-08-02 | — | — | US | disclosed |
| US-7989471-B2 | Macrocyclic inhibitors of hepatitis C virus | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2011-08-02 | — | — | US | disclosed |
| US-7989471-B2 | Macrocyclic inhibitors of hepatitis C virus | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2011-08-02 | — | — | US | disclosed |
| EP-1912995-B1 | MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS | TIBOTEC PHARM LTD (IE) | 2011-07-27 | — | — | EP | disclosed |
| EP-1912995-B1 | MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS | TIBOTEC PHARM LTD (IE) | 2011-07-27 | — | — | EP | disclosed |
| US-20100240698-A1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS | JANSSEN SCIENCES IRELAND UC (IE) | 2010-09-23 | — | — | US | disclosed |
| US-20100240698-A1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS | JANSSEN SCIENCES IRELAND UC (IE) | 2010-09-23 | — | — | US | disclosed |
| US-20100240698-A1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS | JANSSEN SCIENCES IRELAND UC (IE) | 2010-09-23 | — | — | US | disclosed |
| EP-1912995-A1 | MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS | Tibotec Pharmaceuticals Ltd. (IE) | 2008-04-23 | — | — | EP | disclosed |
| WO-2007014919-A1 | MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2007-02-08 | — | — | WO | disclosed |
| WO-2007014919-A1 | MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2007-02-08 | — | — | 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-20100240698-A1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS | CYP2B6, SRD5A1, NR5A2 | SMPD3 4855/4885ECE1 1734/4885SRC 1633/4885 |
“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.