Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.42 |
| ▸ | MC4R | P32245 | 2/20 | 0.40 |
| ▸ | MC5R | P33032 | 2/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | MC1R | Q01726 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MC3R | P41968 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
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 SCHEMBL6336207 | 0.98 | CXCR4 (0.41) | CXCR4MC4RMC5RADRA2BMC1R | |
| SCHEMBL6269123 | 0.85 | MC4R (0.40) | CXCR4MC4RMC5RADRA2BMC1R | |
| SCHEMBL6338288 | 0.83 | MAPK1 (0.38) | CXCR4EPHX2NR1H4HTTTSHR | |
| Hydrochloric Acid SCHEMBL6856468 | 0.83 | MC4R (0.39) | CXCR4MC4RMC5RADRA2BMC1R | |
| Hydrochloric Acid SCHEMBL6339523 | 0.81 | ALDH1A1 (0.41) | CXCR4EPHX2NR1H4HTTMEN1 | |
| SCHEMBL6340679 | 0.80 | HTT (0.55) | CXCR4CASP1HTTTSHRMEN1 | |
| Hydrochloric Acid SCHEMBL6336429 | 0.79 | HTT (0.58) | CXCR4CASP1HTTTSHRMEN1 | |
| SCHEMBL29605115 | 0.76 | CA12 (0.50) | MC4RMC5RMC1RMC3RCHRM2 | |
| SCHEMBL6337909 | 0.75 | EPHX2 (0.42) | EPHX2NR1H4 | |
| SCHEMBL1048211 | 0.74 | CASP1 (0.42) | CASP1HTTTSHRTDP1MEN1 |
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-6936077-B2 | 1,3-diamino-4-(aminomethyl)—benzene derivatives and colorants containing the said compounds | WELLA AG (DE) | 2005-08-30 | — | — | US | claimed |
| US-20030172471-A1 | 1,3-diamino-4-(aminomethyl) - benzene derivatives and colorants containing the said compounds | HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) | 2003-09-18 | — | — | US | claimed |
| US-6936077-B2 | 1,3-diamino-4-(aminomethyl)—benzene derivatives and colorants containing the said compounds | WELLA AG (DE) | 2005-08-30 | — | — | US | disclosed |
| US-20030172471-A1 | 1,3-diamino-4-(aminomethyl) - benzene derivatives and colorants containing the said compounds | HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) | 2003-09-18 | — | — | US | 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-20030172471-A1 | 1,3-diamino-4-(aminomethyl) - benzene derivatives and colorants containing the said compounds | AOC1, DPYD, NDUFB4 | CXCR4 4123/4885MC4R 3009/4885MC5R 3193/4885 |
“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.