Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1543110 | 0.87 | NPC1 (0.45) | ALDH1A1NPC1RAB9APLA2G1BNFKB1 | |
| SCHEMBL1542849 | 0.86 | NPC1 (0.41) | ALDH1A1NPC1RAB9APLA2G1BNFKB1 | |
| SCHEMBL1542933 | 0.83 | AKR1C2 (0.38) | ALDH1A1NPC1RAB9APLA2G1BNFKB1 | |
| SCHEMBL1543258 | 0.83 | ALDH1A1 (0.38) | ALDH1A1NPC1RAB9APLA2G1BNFKB1 | |
| SCHEMBL1542786 | 0.82 | NPC1 (0.39) | ALDH1A1NPC1RAB9APLA2G1BNFKB1 | |
| SCHEMBL1542954 | 0.81 | DAO (0.36) | ALDH1A1NPC1RAB9APLA2G1BNFKB1 | |
| SCHEMBL1543454 | 0.78 | ALDH1A1 (0.46) | ALDH1A1NPC1RAB9APLA2G1BNFKB1 | |
| SCHEMBL1543440 | 0.77 | PTPN1 (0.38) | ALDH1A1NPC1RAB9APLA2G1BNFKB1 | |
| SCHEMBL1542747 | 0.76 | PARP1 (0.41) | ALDH1A1HIF1ACYP2C9TSHRHSD17B10 | |
| SCHEMBL1543186 | 0.74 | CYP3A4 (0.42) | ALDH1A1NPC1RAB9ACYP3A4DAO |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8273773-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2012-09-25 | — | — | US | claimed |
| EP-2307372-B1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2012-04-25 | — | — | EP | claimed |
| EP-2307372-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2011-04-13 | — | — | EP | claimed |
| WO-2010010017-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-01-28 | — | — | WO | claimed |
| US-20100021423-A1 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC | 2010-01-28 | — | — | US | claimed |
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-20100021423-A1 | Heterocyclic antiviral compounds | POLR2A, RRM2B, RRP1B | ALDH1A1 1136/4885NPC1 972/4885RAB9A 203/4885 |
“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.