Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 10/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL8068921 | 1.00 | CYP1A2 (0.46) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL8061219 | 0.80 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL3619598 | 0.80 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL26447937 | 0.76 | CYP1A2 (0.58) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL29508434 | 0.75 | CYP1A2 (0.61) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL14483921 | 0.75 | CYP1A2 (0.61) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL13560958 | 0.75 | CYP1A2 (0.61) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL30867222 | 0.75 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL29411192 | 0.75 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL4278142 | 0.75 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19HTTCTSK |
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-20100093811-A1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2010-04-15 | — | — | US | disclosed |
| US-20100093811-A1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2010-04-15 | — | — | 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-20100093811-A1 | HIV PROTEASE INHIBITORS | PRSS1, FURIN, SERPINB1 | CYP1A2 728/4885CYP2C9 711/4885CYP2C19 690/4885 |
“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.