Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 11/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 10/20 | 0.54 |
| ▸ | CASP1 | P29466 | 9/20 | 0.54 |
| ▸ | CASP7 | P55210 | 8/20 | 0.54 |
| ▸ | HPGD | P15428 | 7/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | USP2 | O75604 | 6/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | CASP4 | P49662 | 1/20 | 0.43 |
| ▸ | CASP5 | P51878 | 1/20 | 0.43 |
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 SCHEMBL8579574 | 0.98 | ALDH1A1 (0.52) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 | |
| Hydrochloric Acid SCHEMBL10410648 | 0.98 | ALDH1A1 (0.52) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 | |
| Hydrochloric Acid SCHEMBL18153368 | 0.97 | ALDH1A1 (0.51) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 | |
| SCHEMBL21551156 | 0.86 | ALDH1A1 (0.51) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 | |
| SCHEMBL18005507 | 0.83 | POLB (0.54) | ALDH1A1CYP1A2HSD17B10TSHRUSP2 | |
| SCHEMBL1708343 | 0.83 | POLB (0.58) | ALDH1A1TSHRSMN1; SMN2POLBMAPK1 | |
| SCHEMBL20804679 | 0.83 | ALDH1A1 (0.51) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 | |
| Hydrochloric Acid SCHEMBL25309917 | 0.81 | CHRNB2 (0.53) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 | |
| SCHEMBL21564400 | 0.80 | ALDH1A1 (0.53) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 | |
| SCHEMBL17066352 | 0.80 | HTR3A (0.54) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 |
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-20130273034-A1 | NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT | VALO EARLY DISCOVERY, INC. | 2013-10-17 | — | — | US | disclosed |
| WO-2013078254-A1 | BICYCLIC HETEROARYL DERIVATIVES AS KINASE INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2013-05-30 | — | — | WO | disclosed |
| US-5204465-A | PROCESS FOR THE PRODUCTION OF PIPERAZINYLPYRIMIDINE DERIVATIVES | LONZA LTD. (CH) | 1993-04-20 | — | — | US | disclosed |
| EP-0491329-A1 | Process for the preparation of piperazinyl-pyrimidin derivatives | LONZA AG (CH) | 1992-06-24 | — | — | 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-20130273034-A1 | NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT | NAMPT, NNMT, NQO1 | ALDH1A1 1273/4885CYP1A2 2270/4885HSD17B10 1623/4885 |
“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.