Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | MAPT | P10636 | 10/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL5322691 | 0.83 | KDM4E (0.67) | ALDH1A1MAPTGAAKDM4EHPGD | |
| SCHEMBL105883 | 0.83 | MAPT (0.56) | ALDH1A1MAPTGAACYP1A2CYP2D6 | |
| SCHEMBL195322 | 0.83 | ALDH1A1 (0.70) | ALDH1A1MAPTGAACYP1A2CYP2D6 | |
| SCHEMBL13979594 | 0.82 | CXCR3 (0.49) | KDM4ESMN1; SMN2KMT2ANPSR1 | |
| SCHEMBL4289177 | 0.79 | WDR5 (0.69) | ALDH1A1MAPTGAACYP1A2CYP2D6 | |
| SCHEMBL14334390 | 0.79 | MAPT (0.59) | ALDH1A1MAPTGAACYP1A2CYP2D6 | |
| SCHEMBL4589191 | 0.79 | MAPT (0.59) | ALDH1A1MAPTGAACYP1A2CYP2D6 | |
| SCHEMBL13979165 | 0.78 | CXCR3 (0.71) | — | |
| SCHEMBL4589478 | 0.78 | ALDH1A1 (0.51) | ALDH1A1MAPTGAAKDM4EHPGD | |
| SCHEMBL14377108 | 0.78 | MAPT (0.63) | ALDH1A1MAPTGAACYP1A2CYP2D6 |
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-20080312215-A1 | Substituted [1,4]-diazepanes as CXCR3 antagonists and their use in the treatment of inflammatory disorders | PHARMACOPEIA DRUG DISCOVERY, INC. (US) | 2008-12-18 | — | — | US | disclosed |
| US-20080312215-A1 | Substituted [1,4]-diazepanes as CXCR3 antagonists and their use in the treatment of inflammatory disorders | PHARMACOPEIA DRUG DISCOVERY, INC. (US) | 2008-12-18 | — | — | US | disclosed |
| WO-2007002742-A1 | SUBSTITUTED [1,4]-DIAZEPANES AS CXCR3 ANTAGONISTS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISORDERS | PHARMACOPEIA, INC. (US) | 2007-01-04 | — | — | WO | disclosed |
| WO-2007002742-A1 | SUBSTITUTED [1,4]-DIAZEPANES AS CXCR3 ANTAGONISTS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISORDERS | PHARMACOPEIA, INC. (US) | 2007-01-04 | — | — | 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-20080312215-A1 | Substituted [1,4]-diazepanes as CXCR3 antagonists and their use in the treatment of inflammatory disorders | CXCR3, CXCR1, CX3CR1 | ALDH1A1 1053/4885MAPT 4702/4885GAA 4781/4885 |
“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.