Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.53 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.53 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 5/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.53 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.53 |
| ▸ | HTR2B | P41595 | 1/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL365723 | 0.87 | HTT (0.53) | LMNAKMT2AMEN1MAPTHTT | |
| SCHEMBL16674479 | 0.86 | HCRTR1 (0.58) | LMNAKMT2AMEN1MAPTHTT | |
| SCHEMBL16674494 | 0.85 | ALDH1A1 (0.53) | LMNAKMT2AMEN1MAPTHTT | |
| SCHEMBL22836995 | 0.83 | HTT (0.49) | LMNAKMT2AMEN1MAPTHTT | |
| SCHEMBL16674542 | 0.83 | KDM4E (0.63) | LMNAKMT2AMEN1HTTALDH1A1 | |
| SCHEMBL24763664 | 0.82 | ABCB1 (0.46) | ADRB2ADRB1ADRB3LMNAHTT | |
| SCHEMBL20506072 | 0.81 | KMT2A (0.50) | ADRB2ADRB1ADRB3LMNAKMT2A | |
| SCHEMBL16674534 | 0.81 | KDM4E (0.55) | LMNAHTTALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL28026687 | 0.81 | ADRB2 (0.58) | ADRB2ADRB1ADRB3LMNAKMT2A | |
| SCHEMBL31643582 | 0.81 | ALDH1A1 (0.71) | LMNAKMT2AMEN1MAPTHTT |
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-7906655-B2 | 5,5'-(1,2-ethynediyl)bis(2-((2S)-1-((2R)-2-phenylpropanoyl)-2-pyrrolidinyl)-1H-benzimidazole); inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-03-15 | — | — | US | disclosed |
| US-20100068176-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2010-03-18 | — | — | 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-20100068176-A1 | HEPATITIS C VIRUS INHIBITORS | HAVCR2, PYGL, HCCS | ADRB2 4314/4885ADRB1 3647/4885ADRB3 2849/4885 |
“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.