Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.47 |
| ▸ | KIF11 | P52732 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.45 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.44 |
| ▸ | KCNK9 | Q9NPC2 | 2/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL734815 | 1.00 | NPC1 (0.49) | NPC1RAB9AEPHX2ALDH1A1GAA | |
| SCHEMBL3459396 | 0.87 | NPC1 (0.48) | NPC1RAB9AEPHX2ALDH1A1GAA | |
| SCHEMBL2339653 | 0.83 | LMNA (0.49) | NPC1RAB9AEPHX2ALDH1A1GAA | |
| SCHEMBL26616883 | 0.82 | MTNR1B (0.57) | NPC1RAB9AALDH1A1MAPTTSHR | |
| SCHEMBL7717477 | 0.82 | EPHX2 (0.56) | EPHX2ALDH1A1GAAMAPTHPGD | |
| SCHEMBL6274304 | 0.82 | MTNR1B (0.57) | NPC1RAB9AALDH1A1MAPTTSHR | |
| SCHEMBL7717474 | 0.82 | EPHX2 (0.56) | EPHX2ALDH1A1GAAMAPTHPGD | |
| SCHEMBL21571874 | 0.82 | NPC1 (0.46) | NPC1RAB9AEPHX2ALDH1A1GAA | |
| SCHEMBL19707830 | 0.81 | GPR139 (0.52) | NPC1RAB9ASMN1; SMN2GPR139HDAC8 | |
| Hydrochloric Acid SCHEMBL7704862 | 0.81 | EPHX2 (0.54) | EPHX2ALDH1A1GAAMAPTHPGD |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102112451-B | Diazepan and piperazine derivatives modulators of chemokine receptors | HOFFMANN LA ROCHE | 2014-01-22 | — | — | CN | disclosed |
| US-8138175-B2 | Heterocyclyl compounds | HOFFMANN-LA ROCHE INC. (US) | 2012-03-20 | — | — | US | disclosed |
| CN-102112451-A | Diazepan and piperazine derivatives modulators of chemokine receptors | HOFFMANN LA ROCHE | 2011-06-29 | — | — | CN | disclosed |
| EP-2321285-A1 | DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | F. Hoffmann-La Roche AG (CH) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010012619-A1 | DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-02-04 | — | — | WO | disclosed |
| US-20100022518-A1 | NOVEL HETEROCYCLYL COMPOUNDS | HOFFMANN-LA ROCHE, INC. | 2010-01-28 | — | — | 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-20100022518-A1 | NOVEL HETEROCYCLYL COMPOUNDS | CCR2, CCR3, CCR5 | NPC1 1237/4885RAB9A 762/4885EPHX2 1848/4885 |
“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.