Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 4/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MITF | O75030 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.39 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.36 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL14920986 | 0.83 | CA12 (0.41) | TSHRMAOBMAPTPOLBHSP90AA1 | |
| SCHEMBL16117009 | 0.82 | LOXL2 (0.43) | MAOBMAPTPOLBHSP90AA1LOXL2 | |
| SCHEMBL16117027 | 0.79 | HTR2A (0.38) | ALDH1A1TDP1CYP3A4TSHRMAPT | |
| SCHEMBL15515736 | 0.76 | ALDH1A1 (0.54) | ALDH1A1TDP1CYP3A4TSHRMAOB | |
| SCHEMBL14919976 | 0.75 | MAPK1 (0.49) | ALDH1A1MAOBMAOAMAPTSMN1; SMN2 | |
| SCHEMBL1656495 | 0.73 | ALDH1A1 (0.62) | ALDH1A1TDP1CYP3A4TSHRMAOB | |
| SCHEMBL29673225 | 0.73 | MEP1B (0.48) | MAPTLOXL2 | |
| SCHEMBL8274219 | 0.73 | MEP1B (0.48) | MAPTLOXL2 | |
| SCHEMBL16117018 | 0.71 | NPBWR1 (0.41) | MAOBMAPTNPC1RAB9A | |
| SCHEMBL3028054 | 0.70 | CYP3A4 (0.50) | CYP3A4 |
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-20140288040-A1 | SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION | ASTEX THERAPEUTICS LIMITED (GB) | 2014-09-25 | — | — | US | disclosed |
| US-20140288040-A1 | SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION | ASTEX THERAPEUTICS LIMITED (GB) | 2014-09-25 | — | — | US | disclosed |
| US-20140288040-A1 | SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION | ASTEX THERAPEUTICS LIMITED (GB) | 2014-09-25 | — | — | US | disclosed |
| EP-2773613-A1 | SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION | Astex Therapeutics Limited (GB) | 2014-09-10 | — | — | EP | disclosed |
| WO-2013064538-A1 | SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION | ASTEX THERAPEUTICS LIMITED (GB) | 2013-05-10 | — | — | 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-20140288040-A1 | SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION | NR1H4, CFH, SLC10A1 | ALDH1A1 1940/4885TDP1 4803/4885CYP3A4 117/4885 |
“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.