Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 3/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.52 |
| ▸ | IGF1R | P08069 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5670028 | 0.85 | IGF1R (0.56) | IGF1RNPC1RAB9ASMN1; SMN2HTT | |
| SCHEMBL2171406 | 0.82 | SMN1; SMN2 (0.57) | IGF1RNPC1RAB9ASMN1; SMN2HTT | |
| SCHEMBL2172312 | 0.81 | KDM4E (0.48) | KDM4ENPC1RAB9ASMN1; SMN2HTT | |
| Hydrochloric Acid SCHEMBL2173104 | 0.81 | SMN1; SMN2 (0.56) | IGF1RNPC1RAB9ASMN1; SMN2HTT | |
| SCHEMBL5668870 | 0.80 | IGF1R (0.51) | IGF1RNPC1RAB9ASMN1; SMN2HTT | |
| SCHEMBL2173461 | 0.80 | TRPV1 (0.58) | IGF1RNPC1RAB9ASMN1; SMN2HTT | |
| SCHEMBL25834083 | 0.80 | KDM4E (0.63) | KDM4ENPC1RAB9ASMN1; SMN2HTT | |
| SCHEMBL10126403 | 0.79 | IGF1R (0.52) | IGF1RNPC1RAB9ASMN1; SMN2HTT | |
| SCHEMBL18765041 | 0.79 | SMN1; SMN2 (0.58) | HDAC3HDAC1HDAC6SMN1; SMN2HTT | |
| SCHEMBL2172958 | 0.79 | CNR1 (0.54) | IGF1RNPC1RAB9ASMN1; SMN2HTT |
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 | HDAC3 691/4885HDAC1 1046/4885HDAC6 1698/4885 |
“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.