Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL7027485 | 0.92 | ABCB1 (0.50) | NPC1RAB9AALOX5SMN1; SMN2ABCB1 | |
| SCHEMBL746358 | 0.91 | NPC1 (0.46) | NPC1RAB9AALOX5L3MBTL1NFE2L2 | |
| SCHEMBL20858960 | 0.90 | RAB9A (0.45) | NPC1RAB9AALOX5L3MBTL1NFE2L2 | |
| SCHEMBL7027331 | 0.88 | ABCG2 (0.49) | NFE2L2MAOBALDH1A1 | |
| SCHEMBL7026486 | 0.86 | MAPT (0.53) | MAOBABCB1 | |
| SCHEMBL7028325 | 0.86 | ABCB1 (0.48) | L3MBTL1SMN1; SMN2ABCB1ALDH1A1LMNA | |
| SCHEMBL7029021 | 0.85 | ABCB1 (0.46) | ABCB1 | |
| SCHEMBL7025959 | 0.85 | AR (0.46) | RAB9ASMN1; SMN2MAOBABCB1ALDH1A1 | |
| SCHEMBL7028079 | 0.85 | ABCG2 (0.51) | MAOBABCB1CYP1A2CYP2D6 | |
| SCHEMBL7027366 | 0.84 | PDPK1 (0.47) | ALOX5MAOBABCB1RELALMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120121692-A1 | COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR TREATING CANCER | SHANDONG UNIVERSITY (CN) | 2012-05-17 | — | — | 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-20120121692-A1 | COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR TREATING CANCER | CDK6, CDK5, CDK4 | NPC1 3330/4885RAB9A 2710/4885ALOX5 2088/4885 |
“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.