Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL2173905 | 0.90 | SHMT2 (0.43) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL2172250 | 0.89 | MEN1 (0.45) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL5668504 | 0.84 | ALDH1A1 (0.41) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL5668017 | 0.83 | ALDH1A1 (0.44) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL5669968 | 0.83 | CYP1A2 (0.41) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL4394123 | 0.83 | ALDH1A1 (0.41) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL5669715 | 0.83 | HDAC3 (0.43) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL5667723 | 0.82 | ABL1 (0.44) | ALDH1A1HDAC3HDAC1HDAC6MEN1 | |
| SCHEMBL4385832 | 0.82 | CYP1A2 (0.52) | ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2 | |
| SCHEMBL4390529 | 0.82 | CYP1A2 (0.62) | ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7973061-B2 | Anaplastic lymphoma kinase modulators and methods of use | EXELIXIS, INC. (US) | 2011-07-05 | — | — | US | disclosed |
| US-20090186905-A1 | ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE | EXELIXIS, INC. (US) | 2009-07-23 | — | — | 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-20090186905-A1 | ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE | ALK, BCL3, MCL1 | ALDH1A1 1466/4885HDAC3 691/4885HDAC4 1465/4885 |
“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.