Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | GLS | O94925 | 1/20 | 0.41 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.40 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 2/20 | 0.40 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30910306 | 0.88 | NR1H4 (0.48) | TSHRSMN1; SMN2NR1H4L3MBTL1HDAC1 | |
| SCHEMBL1205128 | 0.88 | NR1H4 (0.48) | TSHRSMN1; SMN2NR1H4L3MBTL1HDAC1 | |
| SCHEMBL14979282 | 0.84 | NR1H4 (0.50) | TSHRSMN1; SMN2NR1H4L3MBTL1HDAC1 | |
| SCHEMBL30901987 | 0.84 | NR1H4 (0.50) | TSHRSMN1; SMN2NR1H4L3MBTL1HDAC1 | |
| SCHEMBL31019193 | 0.83 | NR1H4 (0.62) | TSHRSMN1; SMN2NR1H4L3MBTL1HDAC1 | |
| SCHEMBL3897985 | 0.83 | NR1H4 (0.62) | TSHRSMN1; SMN2NR1H4L3MBTL1HDAC1 | |
| SCHEMBL1205921 | 0.82 | TSHR (0.47) | TSHRL3MBTL1HDAC1KDM4EGLS | |
| SCHEMBL1244785 | 0.81 | NR1H4 (0.61) | TSHRNR1H4L3MBTL1HDAC1EPHX2 | |
| SCHEMBL8417822 | 0.81 | HDAC1 (0.53) | NR1H4L3MBTL1HDAC1EPHX2NAMPT | |
| SCHEMBL25256049 | 0.80 | NR1H4 (0.45) | TSHRSMN1; SMN2NR1H4L3MBTL1HDAC1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1724263-B1 | BASIC AMINE COMPOUND AND USE THEREOF | KUREHA CORP (JP) | 2014-03-05 | — | — | EP | disclosed |
| US-20110172212-A1 | AMINE-BASED COMPOUND AND USE THEREOF | KUREHA CORPORATION (JP) | 2011-07-14 | — | — | US | disclosed |
| US-7932281-B2 | Amine-based compound and use thereof | KUREHA CORPORATION (JP) | 2011-04-26 | — | — | US | disclosed |
| US-20110046113-A1 | AMINE COMPOUND AND USE THEREOF | KUREHA CORPORATION (JP) | 2011-02-24 | — | — | US | disclosed |
| US-7833991-B2 | For use as antimetastatic agent or antiviral agent for HIV infection; N-(4-dipropylaminomethylphenyl)-4-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-benzamide; chemokine receptor CXCR4 antagonists | KUREHA CORPORATION (JP) | 2010-11-16 | — | — | US | disclosed |
| US-20070208007-A1 | Amine-Based Compound and Use Thereof | KUREHA CORPORATION (JP) | 2007-09-06 | — | — | US | disclosed |
| US-20070208033-A1 | For use as antimetastatic agent or antiviral agent for HIV infection; N-(4-dipropylaminomethylphenyl)-4-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-benzamide; chemokine receptor CXCR4 antagonists | KUREHA CORPORATION (JP) | 2007-09-06 | — | — | US | disclosed |
| US-7176227-B2 | For example, N-(4-{[bis(1H-imidazol-2-ylmethyl)-amino]-methyl}-benzyl)-N',N'-dipropylbutane-1,4-diamine; efficacious against diseases such as infection with HIV virus, rheumatism, and cancer metastasis | KUREHA CORPORATION (JP) | 2007-02-13 | — | — | US | disclosed |
| EP-1724263-A1 | BASIC AMINE COMPOUND AND USE THEREOF | Kureha Corporation (JP) | 2006-11-22 | — | — | EP | disclosed |
| US-20050165063-A1 | Amine compounds and use thereof | KUREHA CHEMICAL INDUSTRY COMPANY, LIMITED. (JP) | 2005-07-28 | — | — | US | disclosed |
| EP-1550657-A1 | AMINE COMPOUNDS AND USE THEREOF | Kureha Chemical Industry Co., Ltd. (JP) | 2005-07-06 | — | — | 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 (5 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-20110172212-A1 | AMINE-BASED COMPOUND AND USE THEREOF | NR0B2, NR5A2, NR1D2 | TSHR 1111/4885SMN1; SMN2 2498/4885NR1H4 12/4885 |
| US-20050165063-A1 | Amine compounds and use thereof | NR0B2, NR5A2, NR1H4 | TSHR 1027/4885SMN1; SMN2 3310/4885NR1H4 3/4885 |
| US-20110046113-A1 | AMINE COMPOUND AND USE THEREOF | NR0B2, NR1D2, NR0B1 | TSHR 811/4885SMN1; SMN2 3021/4885NR1H4 6/4885 |
| US-20070208007-A1 | Amine-Based Compound and Use Thereof | NR0B2, NR5A2, NR2E1 | TSHR 1353/4885SMN1; SMN2 2494/4885NR1H4 15/4885 |
| US-20070208033-A1 | For use as antimetastatic agent or antiviral agent for HIV infection; N-(4-dipropylaminomethylphenyl)-4-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-benzamide; chemokine receptor CXCR4 antagonists | CXCR4, CXCR6, CCR5 | TSHR 1516/4885SMN1; SMN2 3683/4885NR1H4 35/4885 |
“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.