Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.65 |
| ▸ | GAA | P10253 | 1/20 | 0.65 |
| ▸ | HPGD | P15428 | 1/20 | 0.65 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.65 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.65 |
| ▸ | RELA | Q04206 | 1/20 | 0.65 |
| ▸ | NPC1 | O15118 | 12/20 | 0.64 |
| ▸ | RAB9A | P51151 | 12/20 | 0.64 |
| ▸ | MAPT | P10636 | 2/20 | 0.64 |
| ▸ | PKM | P14618 | 4/20 | 0.57 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.57 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | TNF | P01375 | 1/20 | 0.56 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.56 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL4930218 | 1.00 | SMN1; SMN2 (0.65) | SMN1; SMN2GAAHPGDNFKB1NFKB2 | |
| SCHEMBL9504780 | 0.81 | NPC1 (0.80) | SMN1; SMN2GAAHPGDNFKB1NFKB2 | |
| SCHEMBL13431307 | 0.81 | NPC1 (0.80) | SMN1; SMN2GAAHPGDNFKB1NFKB2 | |
| SCHEMBL12218578 | 0.79 | NPC1 (0.79) | SMN1; SMN2GAAHPGDNFKB1NFKB2 | |
| SCHEMBL13089352 | 0.78 | NPC1 (1.00) | SMN1; SMN2GAAHPGDNFKB1NFKB2 | |
| SCHEMBL13427318 | 0.76 | NPC1 (0.79) | SMN1; SMN2HPGDNPC1RAB9AMAPT | |
| SCHEMBL14926494 | 0.73 | NPC1 (0.62) | SMN1; SMN2GAAHPGDNFKB1NFKB2 | |
| SCHEMBL10111458 | 0.72 | NPC1 (0.60) | SMN1; SMN2GAAHPGDNFKB1NFKB2 | |
| SCHEMBL27772250 | 0.72 | NPC1 (0.60) | SMN1; SMN2GAAHPGDNFKB1NFKB2 | |
| SCHEMBL13427341 | 0.72 | PKM (0.63) | SMN1; SMN2GAAHPGDNFKB1NFKB2 |
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-8076338-B2 | Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation | EXELIXIS, INC. (US) | 2011-12-13 | — | — | US | disclosed |
| US-20080076774-A1 | Kinase Modulators and Methods of Use | EXELIXIS, INC. (US) | 2008-03-27 | — | — | US | disclosed |
| EP-1750727-A2 | KINASE MODULATORS AND METHODS OF USE | Exelixis, Inc. (US) | 2007-02-14 | — | — | EP | disclosed |
| WO-2005117909-A2 | KINASE MODULATORS AND METHODS OF USE | EXELIXIS, INC. (US) | 2005-12-15 | — | — | 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-20080076774-A1 | Kinase Modulators and Methods of Use | AKT3, RPS6KA3, CDK3 | SMN1; SMN2 2171/4885GAA 2201/4885HPGD 2459/4885 |
“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.