Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 8/20 | 0.36 |
| ▸ | F2 | P00734 | 4/20 | 0.36 |
| ▸ | CTSG | P08311 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.31 |
| ▸ | CTRC | Q99895 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6478074 | 1.00 | ALDH1A1 (0.36) | ALDH1A1TSHRELANEF2CTSG | |
| SCHEMBL6478077 | 1.00 | ALDH1A1 (0.36) | ALDH1A1TSHRELANEF2CTSG | |
| SCHEMBL21359938 | 0.72 | ELANE (0.33) | ELANEF2CTSGPRSS1CTRC | |
| SCHEMBL5203905 | 0.64 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL5203372 | 0.64 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL5201770 | 0.64 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL5203376 | 0.64 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL14764729 | 0.63 | ALDH1A1 (0.35) | ALDH1A1TSHRHTTKDM4EKMT2A | |
| SCHEMBL5203668 | 0.63 | MMP2 (0.39) | ALDH1A1 | |
| SCHEMBL5203116 | 0.63 | CHRM3 (0.34) | ALDH1A1 |
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-6855708-B2 | N-arylsulfonyl aza-bicyclic derivatives as potent cell adhesion inhibitors | MERCK & CO., INC. (US) | 2005-02-15 | — | — | US | disclosed |
| US-20030008861-A1 | N-arylsulfonyl aza-bicyclic derivatives as potent cell adhesion inhibitors | MERCK & CO., INC. | 2003-01-09 | — | — | 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-20030008861-A1 | N-arylsulfonyl aza-bicyclic derivatives as potent cell adhesion inhibitors | VCAM1, CD4, ITGA4 | ALDH1A1 225/4885TSHR 2642/4885ELANE 2938/4885 |
“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.