Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.78 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.78 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.78 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.78 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.78 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.78 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.73 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.69 |
| ▸ | PRCP | P42785 | 2/20 | 0.44 |
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 SCHEMBL19689524 | 0.99 | CYP3A4 (0.77) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL2586338 | 0.95 | CYP3A4 (0.70) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL28996193 | 0.93 | CYP3A4 (0.84) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| Hydrochloric Acid SCHEMBL28532708 | 0.92 | CYP3A4 (0.82) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL2587697 | 0.91 | CYP3A4 (0.66) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL2579289 | 0.89 | CYP3A4 (0.69) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL2590294 | 0.89 | CYP3A4 (0.69) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL2579472 | 0.88 | CYP3A4 (0.59) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| Daclatasvir SCHEMBL21531495 | 0.88 | CYP3A4 (1.00) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| Daclatasvir SCHEMBL21531497 | 0.88 | CYP3A4 (1.00) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 |
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-10300044-B2 | Polymorphic forms of methyl((1S)-1-(((2S)-2-(5-(4′-(2-((2S)-1-((2S)-2-((methoxycarbonyl)amino)-3-methylbutanoyl)-2-pyrrolidinyl)-1H-imidazol-5-yl)-4-biphenylyl)-1H-imidazol-2-yl)-1-pyrrolidinyl)carbonyl)-2-methylpropyl)carbamate and salts thereof | CIPLA LIMITED (IN) | 2019-05-28 | — | — | US | claimed |
| US-20170354644-A1 | Polymorphic Forms of Methyl((1S)-1-(((2S)-2-(5-(4'-(2-((2S)-1-((2S)-2-((methoxycarbonyl)amino)-3-methylbutanoyl)-2-pyrrolidinyl)-1H-imidazol-5-yl)-4-biphenylyl)-1H-imidazol-2-yl)-1-pyrrolidinyl) carbonyl)-2-methylpropyl)carbamate and Salts Thereof | CIPLA LIMITED (IN) | 2017-12-14 | — | — | US | claimed |
| US-10300044-B2 | Polymorphic forms of methyl((1S)-1-(((2S)-2-(5-(4′-(2-((2S)-1-((2S)-2-((methoxycarbonyl)amino)-3-methylbutanoyl)-2-pyrrolidinyl)-1H-imidazol-5-yl)-4-biphenylyl)-1H-imidazol-2-yl)-1-pyrrolidinyl)carbonyl)-2-methylpropyl)carbamate and salts thereof | CIPLA LIMITED (IN) | 2019-05-28 | — | — | US | disclosed |
| US-20170354644-A1 | Polymorphic Forms of Methyl((1S)-1-(((2S)-2-(5-(4'-(2-((2S)-1-((2S)-2-((methoxycarbonyl)amino)-3-methylbutanoyl)-2-pyrrolidinyl)-1H-imidazol-5-yl)-4-biphenylyl)-1H-imidazol-2-yl)-1-pyrrolidinyl) carbonyl)-2-methylpropyl)carbamate and Salts Thereof | CIPLA LIMITED (IN) | 2017-12-14 | — | — | 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 (2 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-10300044-B2 | Polymorphic forms of methyl((1S)-1-(((2S)-2-(5-(4′-(2-((2S)-1-((2S)-2-((methoxycarbonyl)amino)-3-methylbutanoyl)-2-pyrrolidinyl)-1H-imidazol-5-yl)-4-biphenylyl)-1H-imidazol-2-yl)-1-pyrrolidinyl)carbonyl)-2-methylpropyl)carbamate and salts thereof | MECP2, MAT2A, CPS1 | CYP3A4 128/4885CYP2C9 297/4885KCNH2 498/4885 |
| US-20170354644-A1 | Polymorphic Forms of Methyl((1S)-1-(((2S)-2-(5-(4'-(2-((2S)-1-((2S)-2-((methoxycarbonyl)amino)-3-methylbutanoyl)-2-pyrrolidinyl)-1H-imidazol-5-yl)-4-biphenylyl)-1H-imidazol-2-yl)-1-pyrrolidinyl) carbonyl)-2-methylpropyl)carbamate and Salts Thereof | MECP2, CPS1, MAT2A | CYP3A4 133/4885CYP2C9 303/4885KCNH2 499/4885 |
“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.