Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 6/20 | 0.58 |
| ▸ | CA2 | P00918 | 6/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| SCHEMBL31203458 | 0.95 | CA1 (0.53) | CA1CA2CYP3A4HDAC3HDAC1 | |
| SCHEMBL13900420 | 0.92 | CA1 (0.48) | CA1CA2LMNARAB9AL3MBTL1 | |
| SCHEMBL15284544 | 0.86 | CA1 (0.59) | CA1CA2CYP3A4HDAC3HDAC1 | |
| SCHEMBL15145823 | 0.84 | L3MBTL1 (0.51) | LMNARAB9AL3MBTL1POLBKMT2A | |
| SCHEMBL18897627 | 0.82 | CA1 (0.70) | CA1CA2HDAC3HDAC1HDAC4 | |
| SCHEMBL31644745 | 0.81 | HDAC3 (0.52) | CA1CA2CYP3A4HDAC3HDAC1 | |
| SCHEMBL25470877 | 0.80 | MALT1 (0.54) | CA1CA2LMNARAB9APOLB | |
| SCHEMBL29437037 | 0.80 | CA1 (0.55) | CA1CA2CYP3A4HDAC3HDAC1 | |
| SCHEMBL31203591 | 0.80 | HDAC3 (0.62) | CA1CA2CYP3A4HDAC3HDAC1 | |
| SCHEMBL26554142 | 0.80 | CA1 (0.55) | CA1CA2CYP3A4HDAC3HDAC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7507753-B2 | melanocortin receptor agonist, antagonist; preventing or treating inflammatory diseases, AIDS, obesity, bulimia, anorexia or sexual dysfunction; N-(2-aminoethyl)-3'-[1-{N-(1-benzylpiperidin-4-yl)-N-(2-naphthylacetyl)aminoethyl][1,1'-biphenyl)-2-carboxamide dihydrochloride | TAKEDA CHEMICAL INDUSTRIES LTD. (JP) | 2009-03-24 | — | — | US | disclosed |
| US-20050096359-A1 | melanocortin receptor agonist, antagonist; preventing or treating inflammatory diseases, AIDS, obesity, bulimia, anorexia or sexual dysfunction; N-(2-aminoethyl)-3'-[1-{N-(1-benzylpiperidin-4-yl)-N-(2-naphthylacetyl)aminoethyl][1,1'-biphenyl)-2-carboxamide dihydrochloride | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-05-05 | — | — | US | disclosed |
| EP-1466904-A1 | BIARYL COMPOUND AND USE THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2004-10-13 | — | — | 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-20050096359-A1 | melanocortin receptor agonist, antagonist; preventing or treating inflammatory diseases, AIDS, obesity, bulimia, anorexia or sexual dysfunction; N-(2-aminoethyl)-3'-[1-{N-(1-benzylpiperidin-4-yl)-N-(2-naphthylacetyl)aminoethyl][1,1'-biphenyl)-2-carboxamide dihydrochloride | MC4R, MC3R, MC1R | CA1 4534/4885CA2 3125/4885CYP3A4 561/4885 |
“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.