Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | ATP4A | P20648 | 7/20 | 0.46 |
| ▸ | ATP4B | P51164 | 7/20 | 0.46 |
| ▸ | ATP1A1 | P05023 | 5/20 | 0.46 |
| ▸ | ATP1B1 | P05026 | 5/20 | 0.46 |
| ▸ | ATP1A3 | P13637 | 5/20 | 0.46 |
| ▸ | ATP1B2 | P14415 | 5/20 | 0.46 |
| ▸ | ATP1A2 | P50993 | 5/20 | 0.46 |
| ▸ | ATP1B3 | P54709 | 5/20 | 0.46 |
| ▸ | FXYD2 | P54710 | 5/20 | 0.46 |
| ▸ | ATP1A4 | Q13733 | 5/20 | 0.46 |
| ▸ | WDR5 | P61964 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29350399 | 1.00 | NPC1 (0.47) | NPC1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5661872 | 0.93 | CYP2C9 (0.47) | NPC1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL26765301 | 0.90 | NPC1 (0.48) | NPC1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6872759 | 0.90 | NPC1 (0.48) | NPC1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6881750 | 0.88 | ATP4A (0.54) | NPC1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Dexlansoprazole SCHEMBL1457401 | 0.87 | NPC1 (0.61) | NPC1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Lansoprazole SCHEMBL1457400 | 0.87 | NPC1 (0.61) | NPC1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Dexlansoprazole SCHEMBL44975 | 0.86 | CYP2C9 (0.63) | NPC1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Lansoprazole SCHEMBL1559598 | 0.86 | CYP2C9 (0.63) | NPC1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Lansoprazole SCHEMBL8597994 | 0.86 | CYP2C9 (0.63) | NPC1CYP1A2CYP3A4CYP2D6CYP2C9 |
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-20180028517-A1 | BENZIMIDAZOLE SULFIDE DERIVATIVES FOR THE TREATMENT OR PREVENTION OF TUBERCULOSIS | ÉCOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE (EPFL) (CH) | 2018-02-01 | — | — | US | disclosed |
| EP-1098648-B1 | PHARMACEUTICAL COMPOSITIONS COMPRISING HYDROXYLANSOPRAZOLE AND USES THEREOF | SEPRACOR INC (US) | 2002-10-02 | — | — | EP | 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-20180028517-A1 | BENZIMIDAZOLE SULFIDE DERIVATIVES FOR THE TREATMENT OR PREVENTION OF TUBERCULOSIS | TST, SQOR, CBS | NPC1 3142/4885CYP1A2 545/4885CYP3A4 232/4885 |
“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.