Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9586464 | 0.85 | HDAC3 (0.44) | HPGDNPC1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL2187339 | 0.84 | HPGD (0.52) | HPGDNPC1PIN1ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL9586477 | 0.83 | PMP22 (0.46) | HPGDALDH1A1KDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL3315030 | 0.79 | KDM4E (0.50) | HPGDPIN1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL10432561 | 0.79 | HDAC3 (0.41) | HPGDALDH1A1KDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL9587190 | 0.78 | KDM4E (0.69) | HPGDALDH1A1KDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL3321548 | 0.78 | GRM6 (0.58) | HPGDNPC1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL7224987 | 0.73 | HDAC4 (0.36) | HPGDNPC1PIN1ALDH1A1KDM4E | |
| SCHEMBL9586953 | 0.73 | CYP1A2 (0.51) | KDM4ESMN1; SMN2NPSR1GAALMNA | |
| SCHEMBL20780956 | 0.72 | ALDH1A1 (0.47) | HPGDNPC1ALDH1A1KDM4ESMN1; SMN2 |
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 | HPGD 3481/4885NPC1 1296/4885PIN1 3215/4885 |
“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.