Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 4/20 | 0.53 |
| ▸ | BPTF | Q12830 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | NCF1 | P14598 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL13804182 | 0.76 | CYP2A6 (0.44) | NUDT1BPTFKDM4EALDH1A1GAA | |
| SCHEMBL10671008 | 0.76 | PDE10A (0.47) | NUDT1TDP1MAPTKDM4EALDH1A1 | |
| SCHEMBL3972143 | 0.75 | AURKA (0.56) | — | |
| SCHEMBL21786398 | 0.74 | NCF1 (0.42) | NUDT1BPTFTDP1KDM4EALDH1A1 | |
| SCHEMBL13804174 | 0.74 | NCF1 (0.42) | NUDT1BPTFTDP1MAPTALDH1A1 | |
| SCHEMBL3318116 | 0.73 | KDM4E (0.53) | NUDT1MAPTKDM4EALDH1A1MEN1 | |
| SCHEMBL29446790 | 0.73 | KDM4E (0.53) | NUDT1MAPTKDM4EALDH1A1MEN1 | |
| SCHEMBL30616770 | 0.73 | KDM4E (0.53) | NUDT1MAPTKDM4EALDH1A1MEN1 | |
| SCHEMBL23735857 | 0.73 | NCF1 (0.41) | NUDT1KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL25847342 | 0.73 | HPGDS (0.44) | NUDT1TDP1MAPTKDM4EALDH1A1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9522145-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-12-20 | — | — | US | disclosed |
| US-20150190390-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED | 2015-07-09 | — | — | US | disclosed |
| US-9012473-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-04-21 | — | — | US | disclosed |
| US-20140206689-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-07-24 | — | — | US | disclosed |
| US-8722704-B2 | Modulators of ATP-binding cassette-transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-05-13 | — | — | US | disclosed |
| US-20130296364-A1 | MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-11-07 | — | — | US | disclosed |
| US-8507524-B2 | Modulators of ATP-binding cassette-transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-08-13 | — | — | US | disclosed |
| US-20090143381-A1 | MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED | 2009-06-04 | — | — | 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-20150190390-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | NUDT1 570/4885BPTF 436/4885TDP1 4384/4885 |
| US-20130296364-A1 | MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS | CFTR, ABCB1, ABCC2 | NUDT1 549/4885BPTF 448/4885TDP1 4358/4885 |
| US-20090143381-A1 | MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS | CFTR, ABCB1, ABCC2 | NUDT1 549/4885BPTF 448/4885TDP1 4358/4885 |
| US-20140206689-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | NUDT1 474/4885BPTF 442/4885TDP1 4242/4885 |
“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.