Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.67 |
| ▸ | HTT | P42858 | 2/20 | 0.67 |
| ▸ | MAPT | P10636 | 2/20 | 0.67 |
| ▸ | HPGD | P15428 | 1/20 | 0.67 |
| ▸ | NPC1 | O15118 | 1/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.67 |
| ▸ | LMNA | P02545 | 3/20 | 0.66 |
| ▸ | CASP1 | P29466 | 2/20 | 0.66 |
| ▸ | TSHR | P16473 | 1/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | G6PD | P11413 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL10073052 | 0.85 | ALDH1A1 (0.83) | ALDH1A1KDM4ELMNAKMT2AMEN1 | |
| SCHEMBL10073032 | 0.82 | ALDH1A1 (0.72) | ALDH1A1HTTLMNACASP1TSHR | |
| SCHEMBL10073123 | 0.82 | CASP1 (0.65) | ALDH1A1KDM4EHTTMAPTHPGD | |
| SCHEMBL10084140 | 0.82 | ALDH1A1 (0.65) | ALDH1A1KDM4EHTTMAPTHPGD | |
| SCHEMBL10073048 | 0.82 | LMNA (0.77) | ALDH1A1HTTMAPTHPGDLMNA | |
| SCHEMBL558577 | 0.81 | L3MBTL1 (0.62) | ALDH1A1KDM4EHTTMAPTHPGD | |
| SCHEMBL558502 | 0.81 | ALDH1A1 (0.70) | ALDH1A1HTTLMNACASP1TSHR | |
| SCHEMBL558061 | 0.81 | L3MBTL1 (0.61) | ALDH1A1KDM4EHTTMAPTHPGD | |
| SCHEMBL8291466 | 0.81 | ALDH1A1 (1.00) | ALDH1A1KDM4EHTTMAPTHPGD | |
| SCHEMBL10073125 | 0.80 | CASP1 (0.62) | ALDH1A1KDM4EHTTMAPTHPGD |
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 6 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-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 | ALDH1A1 895/4885KDM4E 4529/4885HTT 751/4885 |
| US-20100125090-A1 | Modulators of ATP-Binding Cassette Transporters | ABCB11, ABCB1, ABCC5 | ALDH1A1 895/4885KDM4E 4529/4885HTT 751/4885 |
| US-20120035179-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | ABCB11, ABCB1, ABCC5 | ALDH1A1 895/4885KDM4E 4529/4885HTT 751/4885 |
“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.