Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.47 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | ALB | P02768 | 2/20 | 0.43 |
| ▸ | MDH2 | P40926 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CSNK2A2 | P19784 | 2/20 | 0.41 |
| ▸ | CSNK2B | P67870 | 2/20 | 0.41 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.41 |
| ▸ | IL2 | P60568 | 1/20 | 0.41 |
| ▸ | DNA2 | P51530 | 1/20 | 0.40 |
| ▸ | CASP6 | P55212 | 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 | |
|---|---|---|---|---|
| SCHEMBL2034897 | 0.88 | GPR84 (0.51) | CYP1A2HSD17B10KDM4EFFAR1GPR84 | |
| SCHEMBL397484 | 0.82 | CYP1A2 (0.56) | CYP1A2HSD17B10KDM4EALDH1A1HPGD | |
| SCHEMBL2309708 | 0.81 | HSD17B10 (0.55) | CYP1A2HSD17B10KDM4EGPR84ALDH1A1 | |
| SCHEMBL1353154 | 0.80 | CYP1A2 (0.51) | CYP1A2HSD17B10KDM4EALDH1A1HPGD | |
| SCHEMBL1558360 | 0.79 | HTR2A (0.49) | KDM4EFFAR1GPR84ALDH1A1MEN1 | |
| SCHEMBL2285923 | 0.79 | CLEC4M (0.55) | CYP1A2HSD17B10KDM4EALDH1A1HPGD | |
| SCHEMBL4650147 | 0.79 | KDM4E (0.44) | CYP1A2HSD17B10KDM4EALDH1A1HPGD | |
| SCHEMBL10478117 | 0.78 | CYP1A2 (0.56) | CYP1A2HSD17B10KDM4EALDH1A1HPGD | |
| SCHEMBL10366861 | 0.78 | HSD17B10 (0.56) | CYP1A2HSD17B10KDM4EALDH1A1HPGD | |
| SCHEMBL9689318 | 0.77 | CYP1A2 (0.51) | CYP1A2HSD17B10KDM4EALDH1A1HPGD |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140343098-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-11-20 | — | — | US | disclosed |
| US-8802700-B2 | Modulators of ATP-Binding Cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-08-12 | — | — | US | disclosed |
| US-8614327-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-12-24 | — | — | US | disclosed |
| US-20130165442-A1 | Modulators of ATP-Binding Cassette Transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-06-27 | — | — | US | disclosed |
| US-8354427-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICAL INCORPORATED (US) | 2013-01-15 | — | — | US | disclosed |
| US-20120309758-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-12-06 | — | — | US | disclosed |
| US-20100184739-A1 | Modulators of ATP-Binding Cassette Transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-07-22 | — | — | 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 (4 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-20130165442-A1 | Modulators of ATP-Binding Cassette Transporters | CFTR, ABCB1, ABCC2 | CYP1A2 2537/4885HSD17B10 1468/4885KDM4E 4262/4885 |
| US-20100184739-A1 | Modulators of ATP-Binding Cassette Transporters | CFTR, ABCB1, ABCC2 | CYP1A2 2537/4885HSD17B10 1468/4885KDM4E 4262/4885 |
| US-20140343098-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | CYP1A2 2537/4885HSD17B10 1468/4885KDM4E 4262/4885 |
| US-20120309758-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | CYP1A2 2537/4885HSD17B10 1468/4885KDM4E 4262/4885 |
“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.