Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.36 |
| ▸ | CA9 | Q16790 | 5/20 | 0.36 |
| ▸ | HPGD | P15428 | 5/20 | 0.36 |
| ▸ | CA12 | O43570 | 4/20 | 0.36 |
| ▸ | CA1 | P00915 | 4/20 | 0.36 |
| ▸ | CA7 | P43166 | 4/20 | 0.36 |
| ▸ | CA13 | Q8N1Q1 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1726478 | 0.77 | NCOA1 (0.43) | KDM4ENPC1RAB9ALMNATP53 | |
| SCHEMBL1727595 | 0.76 | NPC1 (0.39) | ALDH1A1KDM4ECA9HPGDCA12 | |
| SCHEMBL1725631 | 0.73 | CYP3A4 (0.46) | LMNATP53CYP3A4 | |
| SCHEMBL1543454 | 0.72 | ALDH1A1 (0.46) | ALDH1A1KDM4EHPGDHSD17B10NPC1 | |
| SCHEMBL1542849 | 0.71 | NPC1 (0.41) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL1727256 | 0.70 | TRPV1 (0.38) | ALDH1A1KDM4ENPC1RAB9AATM | |
| SCHEMBL1543435 | 0.69 | ALDH1A1 (0.40) | ALDH1A1KDM4EHPGDHSD17B10NPC1 | |
| SCHEMBL1542933 | 0.69 | AKR1C2 (0.38) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL1543258 | 0.69 | ALDH1A1 (0.38) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL6439097 | 0.69 | MITF (0.42) | ALDH1A1KDM4EHPGDRAB9ACYP1A1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2403844-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2012-01-11 | — | — | EP | claimed |
| WO-2010100178-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-10 | — | — | WO | claimed |
| US-20100226879-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | ABBOT SARAH C | 2010-09-09 | — | — | US | claimed |
| US-8168792-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2012-05-01 | — | — | US | disclosed |
| US-8168792-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2012-05-01 | — | — | US | disclosed |
| US-8168792-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2012-05-01 | — | — | US | disclosed |
| EP-2403844-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2012-01-11 | — | — | EP | disclosed |
| WO-2010100178-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-10 | — | — | WO | disclosed |
| WO-2010100178-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-10 | — | — | WO | disclosed |
| US-20100226879-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | ABBOT SARAH C | 2010-09-09 | — | — | US | disclosed |
| US-20100226879-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | ABBOT SARAH C | 2010-09-09 | — | — | US | disclosed |
| US-20100226879-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | ABBOT SARAH C | 2010-09-09 | — | — | 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-20100226879-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | POLR2A, IFNAR1, RRM2B | ALDH1A1 859/4885KDM4E 2588/4885CA9 3229/4885 |
“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.