Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | MCOLN2 | Q8IZK6 | 2/20 | 0.41 |
| ▸ | MCOLN3 | Q8TDD5 | 2/20 | 0.41 |
| ▸ | MCOLN1 | Q9GZU1 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 2/20 | 0.40 |
| ▸ | MMP2 | P08253 | 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 | |
|---|---|---|---|---|
| SCHEMBL5411642 | 1.00 | ALDH1A1 (0.51) | ALDH1A1TSHRCYP3A4MCOLN2MCOLN3 | |
| SCHEMBL5418695 | 0.94 | ALDH1A1 (0.52) | ALDH1A1TSHRCYP3A4MCOLN2MCOLN3 | |
| SCHEMBL5433387 | 0.94 | ALDH1A1 (0.52) | ALDH1A1TSHRCYP3A4MCOLN2MCOLN3 | |
| SCHEMBL5415729 | 0.94 | ALDH1A1 (0.55) | ALDH1A1TSHRCYP3A4MCOLN2MCOLN3 | |
| SCHEMBL5426276 | 0.94 | ALDH1A1 (0.55) | ALDH1A1TSHRCYP3A4MCOLN2MCOLN3 | |
| Hexamethylbenzene SCHEMBL5424696 | 0.94 | ALDH1A1 (0.57) | ALDH1A1TSHRCYP3A4MCOLN2MCOLN3 | |
| Hexamethylbenzene SCHEMBL5423380 | 0.94 | ALDH1A1 (0.57) | ALDH1A1TSHRCYP3A4MCOLN2MCOLN3 | |
| SCHEMBL5424820 | 0.92 | ALDH1A1 (0.54) | ALDH1A1TSHRCYP3A4MCOLN2MCOLN3 | |
| SCHEMBL5426272 | 0.92 | ALDH1A1 (0.54) | ALDH1A1TSHRCYP3A4MCOLN2MCOLN3 | |
| P-Xylene SCHEMBL5422459 | 0.91 | ALDH1A1 (0.60) | ALDH1A1TSHRCYP3A4MCOLN2MCOLN3 |
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-7268250-B2 | Process for producing optically active compound | KANTO KAGAKU KABUSHIKI KAISHA (JP) | 2007-09-11 | — | — | US | disclosed |
| US-20040176616-A1 | Process for producing optically active compound | KANTO KAGAKU KABUSHIKI KAISHA | 2004-09-09 | — | — | 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-20040176616-A1 | Process for producing optically active compound | OSTC, NPEPPS, PPOX | ALDH1A1 3566/4885TSHR 3616/4885CYP3A4 77/4885 |
“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.