Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | CXCR4 | P61073 | 10/20 | 0.50 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.50 |
| ▸ | CCR2 | P41597 | 1/20 | 0.50 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.50 |
| ▸ | F2 | P00734 | 1/20 | 0.50 |
| ▸ | DPP4 | P27487 | 1/20 | 0.49 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.47 |
| ▸ | KCNJ1 | P48048 | 2/20 | 0.47 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2731943 | 0.78 | KCNH2 (0.63) | ALDH1A1KCNH2KCNJ1 | |
| Hydrochloric Acid SCHEMBL2731443 | 0.77 | KCNH2 (0.62) | ALDH1A1KCNH2KCNJ1 | |
| SCHEMBL14978749 | 0.76 | TP53 (0.50) | ALDH1A1NOTUMF2DPP4DPP8 | |
| SCHEMBL27569288 | 0.75 | GBA1 (0.49) | ALDH1A1NOTUMKMT2ATDP1F2 | |
| Hydrochloric Acid SCHEMBL5573232 | 0.75 | CXCR4 (0.78) | CXCR4SIGMAR1MEN1CHRM2CHRM1 | |
| SCHEMBL1259387 | 0.75 | CXCR4 (0.81) | ALDH1A1CXCR4SIGMAR1MEN1CHRM2 | |
| Hydrochloric Acid SCHEMBL4771571 | 0.74 | GBA1 (0.47) | ALDH1A1NOTUMKMT2ATDP1F2 | |
| SCHEMBL4777920 | 0.74 | LMNA (0.49) | ALDH1A1CXCR4NOTUMSIGMAR1F2 | |
| SCHEMBL15191990 | 0.73 | KCNH2 (0.53) | NOTUMSIGMAR1KMT2AKCNH2KCNJ1 | |
| Bromide SCHEMBL1257550 | 0.73 | CXCR4 (0.78) | ALDH1A1CXCR4SIGMAR1MEN1CHRM2 |
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-7348324-B2 | Cyclic amine compounds as CCR5 antagonists | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-03-25 | — | — | US | disclosed |
| EP-1886994-A1 | Cyclic amine compounds as CCR5 antagonists | Takeda Pharmaceutical Company Limited (JP) | 2008-02-13 | — | — | EP | disclosed |
| US-20030114443-A1 | Cyclic amine compounds as CCR5 antagonists | TOBIRA THERAPEUTICS, INC. | 2003-06-19 | — | — | US | disclosed |
| US-6562978-B1 | N-(3-(4-(4-(Aminocarbonyl)benzyl)-1-piperidinyl)propyl)-N-(3, 4-dichlorophenyl)-1-(methylsulfonyl)-4-piperidinecarboxamide or a salt thereof for treatment of AIDS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-05-13 | — | — | US | disclosed |
| EP-1220842-A1 | CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS | Takeda Chemical Industries, Ltd. (JP) | 2002-07-10 | — | — | EP | disclosed |
| WO-2001025200-A1 | CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-04-12 | — | — | 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-20030114443-A1 | Cyclic amine compounds as CCR5 antagonists | CCR5, CCR1, CCR3 | ALDH1A1 3228/4885CXCR4 25/4885NOTUM 2433/4885 |
“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.