Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.72 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.63 |
| ▸ | CNR1 | P21554 | 1/20 | 0.62 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.60 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.60 |
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.59 |
| ▸ | THRB | P10828 | 2/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | RECQL | P46063 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | CA9 | Q16790 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL1813399 | 0.86 | GAA (0.66) | GAAALDH1A1LMNASMN1; SMN2L3MBTL1 | |
| SCHEMBL11445616 | 0.80 | DNMT3A (0.71) | DNMT3AHDAC1HDAC6NLRP3LMNA | |
| SCHEMBL8261934 | 0.80 | DNMT3A (0.84) | DNMT3AHDAC1HDAC6NLRP3 | |
| SCHEMBL6267575 | 0.80 | CYP1A2 (0.65) | GAAALDH1A1TP53LMNASMN1; SMN2 | |
| SCHEMBL1811698 | 0.79 | NPC1 (0.63) | GAADNMT3AALDH1A1HDAC1HDAC6 | |
| SCHEMBL1144242 | 0.79 | DNMT3A (1.00) | DNMT3AHDAC1HDAC6NLRP3 | |
| SCHEMBL10073038 | 0.79 | GAA (0.77) | GAALMNASMN1; SMN2POLBMAPT | |
| SCHEMBL11358623 | 0.79 | DNMT3A (0.82) | DNMT3AHDAC1HDAC6NLRP3 | |
| SCHEMBL29808416 | 0.79 | DNMT3A (1.00) | DNMT3AHDAC1HDAC6NLRP3 | |
| SCHEMBL18029599 | 0.79 | DNMT3A (0.82) | DNMT3AHDAC1HDAC6NLRP3LMNA |
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-20130012536-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-01-10 | — | — | US | disclosed |
| US-20130012536-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-01-10 | — | — | US | disclosed |
| US-20120035179-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED | 2012-02-09 | — | — | US | disclosed |
| US-20120035179-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED | 2012-02-09 | — | — | US | disclosed |
| US-20100125090-A1 | Modulators of ATP-Binding Cassette Transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-05-20 | — | — | US | disclosed |
| US-20100125090-A1 | Modulators of ATP-Binding Cassette Transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-05-20 | — | — | US | disclosed |
| US-7598412-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-10-06 | — | — | US | disclosed |
| US-7598412-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-10-06 | — | — | 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 (3 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-20130012536-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | ABCB11, ABCB1, ABCC5 | GAA 397/4885DNMT3A 4106/4885ALDH1A1 895/4885 |
| US-20100125090-A1 | Modulators of ATP-Binding Cassette Transporters | ABCB11, ABCB1, ABCC5 | GAA 397/4885DNMT3A 4106/4885ALDH1A1 895/4885 |
| US-20120035179-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | ABCB11, ABCB1, ABCC5 | GAA 397/4885DNMT3A 4106/4885ALDH1A1 895/4885 |
“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.