Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | PREP | P48147 | 1/20 | 0.41 |
| ▸ | FAP | Q12884 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | SCN10A | Q9Y5Y9 | 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 | |
|---|---|---|---|---|
| SCHEMBL4392420 | 0.94 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19POLB | |
| SCHEMBL4387635 | 0.93 | SGMS1 (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19POLB | |
| SCHEMBL4396904 | 0.92 | MAPT (0.48) | CYP1A2CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL2173525 | 0.89 | ALDH1A1 (0.52) | POLBKMT2ASGMS1ALDH1A1 | |
| SCHEMBL4397607 | 0.89 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19POLB | |
| SCHEMBL5669715 | 0.88 | HDAC3 (0.43) | CYP1A2CYP3A4CYP2C9CYP2C19POLB | |
| SCHEMBL4387708 | 0.88 | TRPV1 (0.44) | POLBHIF1ASMN1; SMN2TRPV1HTT | |
| SCHEMBL12407097 | 0.87 | TRPV1 (0.45) | CYP1A2CYP3A4CYP2C9CYP2C19POLB | |
| SCHEMBL4383985 | 0.87 | LMNA (0.47) | POLBSMN1; SMN2KMT2AMAPT | |
| SCHEMBL5669968 | 0.86 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2C9CYP2C19POLB |
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 | CYP1A2 3488/4885CYP3A4 3497/4885CYP2C9 4093/4885 |
“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.