Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 7/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.39 |
| ▸ | TAOK3 | Q9H2K8 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13788064 | 0.79 | TRPV1 (0.46) | ALDH1A1SMN1; SMN2KDM4EEPHX2 | |
| SCHEMBL4383737 | 0.78 | TRPV1 (0.58) | ALDH1A1SMN1; SMN2KMT2AMEN1MCHR1 | |
| SCHEMBL2173905 | 0.78 | SHMT2 (0.43) | ALDH1A1CYP1A2CYP2C19SMN1; SMN2KMT2A | |
| SCHEMBL2172285 | 0.78 | CACNA1G (0.45) | ALDH1A1CYP1A2CYP2C19SMN1; SMN2KMT2A | |
| SCHEMBL4390930 | 0.76 | ADRB2 (0.48) | ALDH1A1CYP1A2CYP2C19SMN1; SMN2KMT2A | |
| SCHEMBL2171393 | 0.72 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP2C19SMN1; SMN2KMT2A | |
| SCHEMBL5668262 | 0.72 | GAA (0.47) | ALDH1A1CYP1A2CYP2C19SMN1; SMN2KMT2A | |
| SCHEMBL15967361 | 0.71 | GRK6 (0.49) | — | |
| SCHEMBL2172250 | 0.70 | MEN1 (0.45) | ALDH1A1CYP1A2CYP2C19SMN1; SMN2KMT2A | |
| SCHEMBL24112748 | 0.68 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2C19SMN1; SMN2KMT2A |
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 4 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 |
| EP-1730128-A1 | ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE | Exelixis, Inc. (US) | 2006-12-13 | — | — | EP | disclosed |
| WO-2005097765-A1 | ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE | EXELIXIS, INC. (US) | 2005-10-20 | — | — | WO | 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 1466/4885CYP1A2 3488/4885CYP2C19 4109/4885 |
“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.