Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ESRRA | P11474 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 6/20 | 0.34 |
| ▸ | RAB9A | P51151 | 6/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.34 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14996633 | 0.80 | SMN1; SMN2 (0.51) | ALDH1A1SMN1; SMN2CYP1A2CYP3A4MAPT | |
| SCHEMBL5280031 | 0.80 | RAB9A (0.51) | ALDH1A1SMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL22130283 | 0.79 | BRD4 (0.48) | CYP3A4MAPTESRRAPOLB | |
| SCHEMBL19145066 | 0.78 | DYRK1A (0.41) | ALDH1A1SMN1; SMN2CYP1A2CYP3A4MAPT | |
| SCHEMBL16202036 | 0.77 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2MAPTAPOBEC3GTDP1 | |
| SCHEMBL12988852 | 0.77 | ESRRA (0.56) | ALDH1A1SMN1; SMN2CYP1A2CYP3A4MAPT | |
| SCHEMBL14091695 | 0.77 | NPC1 (0.54) | ALDH1A1SMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL31617619 | 0.76 | MAPT (0.41) | ALDH1A1SMN1; SMN2CYP1A2CYP3A4MAPT | |
| SCHEMBL23329066 | 0.74 | TMEM97 (0.44) | ALDH1A1SMN1; SMN2CYP1A2CYP3A4MAPT | |
| SCHEMBL14996562 | 0.74 | ADORA3 (0.40) | ALDH1A1SMN1; SMN2CYP1A2CYP3A4MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050101783-A1 | N-(heterocycle-methyl)alkylamine derivative, process for producing the same, and bactericide | KUREHA CORPORATION (JP) | 2005-05-12 | — | — | US | disclosed |
| US-4472421-A | SHAMPOO | BAYER AKTIENGESELLSCHAFT (DE) | 1984-09-18 | — | — | 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-20050101783-A1 | N-(heterocycle-methyl)alkylamine derivative, process for producing the same, and bactericide | HBZ, ACMSD, HDHD5 | ALDH1A1 4359/4885SMN1; SMN2 4784/4885CYP1A2 2399/4885 |
“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.