Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.50 |
| ▸ | BCHE | P06276 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.46 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.46 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.46 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.46 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 2/20 | 0.45 |
| ▸ | DRD3 | P35462 | 2/20 | 0.45 |
| ▸ | DRD1 | P21728 | 1/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | DRD5 | P21918 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL24556413 | 0.92 | MAPT (0.54) | TSHRHSD17B10HRH3BCHEMAPT | |
| SCHEMBL374433 | 0.85 | PRKCI (0.52) | TSHRHRH3BCHEGRIN2DGRIN3B | |
| SCHEMBL10555327 | 0.84 | DRD2 (0.65) | TSHRHSD17B10MAOAMAOBDRD2 | |
| SCHEMBL4940704 | 0.83 | MAOB (0.47) | MAPTMAOAMAOBCYP19A1OPRM1 | |
| Hydrochloric Acid SCHEMBL5913484 | 0.83 | ACHE (0.53) | TSHRHRH3BCHEGRIN2DGRIN3B | |
| SCHEMBL10645826 | 0.82 | MAPT (0.51) | HRH3BCHEMAPTMAOAMAOB | |
| SCHEMBL13818587 | 0.81 | HRH3 (0.53) | TSHRHSD17B10HRH3BCHEGRIN2D | |
| SCHEMBL10646371 | 0.81 | BCHE (0.54) | BCHEMAOAMAOBDRD2DRD3 | |
| SCHEMBL18780117 | 0.80 | HRH3 (0.57) | TSHRHSD17B10HRH3BCHEMAPT | |
| SCHEMBL7602000 | 0.80 | TSHR (0.50) | TSHRHSD17B10BCHEMAPTGRIN2D |
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 |
|---|---|---|---|---|---|---|---|
| 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-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 |
| 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 (3 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-20050165063-A1 | Amine compounds and use thereof | NR0B2, NR5A2, NR1H4 | TSHR 1027/4885HSD17B10 423/4885HRH3 57/4885 |
| US-20110046113-A1 | AMINE COMPOUND AND USE THEREOF | NR0B2, NR1D2, NR0B1 | TSHR 811/4885HSD17B10 505/4885HRH3 54/4885 |
| 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 1516/4885HSD17B10 1898/4885HRH3 66/4885 |
“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.