Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SLC1A5 | Q15758 | 1/20 | 0.40 |
| ▸ | PPIA | P62937 | 1/20 | 0.40 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.40 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.39 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.39 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4365808 | 0.80 | NPC1 (0.52) | ALDH1A1L3MBTL1GAANFKB1NFKB2 | |
| SCHEMBL4369705 | 0.76 | NPC1 (0.47) | ALDH1A1NFKB1NFKB2RELANPC1 | |
| SCHEMBL4361842 | 0.76 | NPC1 (0.46) | ALDH1A1L3MBTL1GAANFKB1NFKB2 | |
| SCHEMBL13956851 | 0.75 | MEN1 (0.57) | ALDH1A1GAANFKB1NFKB2RELA | |
| SCHEMBL4365813 | 0.74 | MAPT (0.57) | ALDH1A1GAANFKB1NFKB2RELA | |
| SCHEMBL4361546 | 0.73 | HPGD (0.49) | ALDH1A1L3MBTL1GAANFKB1NFKB2 | |
| SCHEMBL4366956 | 0.73 | SMN1; SMN2 (0.48) | ALDH1A1NFKB1NFKB2RELANPC1 | |
| SCHEMBL3634482 | 0.69 | SMN1; SMN2 (0.51) | ALDH1A1NFKB1NFKB2RELANPC1 | |
| SCHEMBL4518242 | 0.69 | NPC1 (0.43) | ALDH1A1L3MBTL1GAANFKB1NFKB2 | |
| SCHEMBL4358710 | 0.68 | RAB9A (0.47) | ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2 |
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-7476686-B2 | Substituted aryl thioureas and related compounds; inhibitors of viral replication | ACHILLION PHARMACEUTICALS, INC. (US) | 2009-01-13 | — | — | US | claimed |
| US-20060014836-A1 | Substituted aryl thioureas and related compounds; inhibitors of viral replication | CHEN DAWEI | 2006-01-19 | — | — | US | claimed |
| US-20040138205-A1 | Substituted aryl thioureas and related compounds; inhibitors of viral replication | ACHILLION PHARMACEUTICALS, INC. | 2004-07-15 | — | — | US | claimed |
| US-7094807-B2 | Substituted aryl thioureas and related compounds; inhibitors of viral replication | ACHILLION PHARMACEUTICALS, INC. (US) | 2006-08-22 | — | — | 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 (2 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-20040138205-A1 | Substituted aryl thioureas and related compounds; inhibitors of viral replication | NAT1, PIGS, TPMT | ALDH1A1 310/4885L3MBTL1 253/4885GAA 370/4885 |
| US-20060014836-A1 | Substituted aryl thioureas and related compounds; inhibitors of viral replication | NAT1, PIGS, SLC10A1 | ALDH1A1 221/4885L3MBTL1 168/4885GAA 407/4885 |
“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.