Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | PLAU | P00749 | 2/20 | 0.41 |
| ▸ | F12 | P00748 | 1/20 | 0.41 |
| ▸ | NCF1 | P14598 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | CFTR | P13569 | 1/20 | 0.37 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL34465304 | 1.00 | CYP2A6 (0.44) | CYP2A6PLAUF12NCF1NOS3 | |
| SCHEMBL22028999 | 0.75 | TLR8 (0.37) | NCF1NOS2BACE1TDP1LMNA | |
| SCHEMBL30826838 | 0.75 | TLR8 (0.37) | NCF1NOS2BACE1TDP1LMNA | |
| SCHEMBL8501474 | 0.73 | CYP2A6 (0.55) | CYP2A6PLAUF12NCF1NOS3 | |
| SCHEMBL34464638 | 0.73 | CYP2A6 (0.55) | CYP2A6PLAUF12NCF1NOS3 | |
| SCHEMBL29199342 | 0.73 | KDM4E (0.41) | NPC1ALDH1A1RAB9AKDM4EHTT | |
| SCHEMBL1453289 | 0.73 | HTR1B (0.40) | CYP2A6GAANPC1ALDH1A1RAB9A | |
| SCHEMBL1278237 | 0.71 | NOS3 (0.38) | CYP2A6PLAUNOS3NOS1NOS2 | |
| SCHEMBL31319295 | 0.71 | NOS3 (0.38) | CYP2A6PLAUNOS3NOS1NOS2 | |
| SCHEMBL4067893 | 0.71 | CYP2A6 (0.48) | CYP2A6PLAUF12NCF1NOS3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2588469-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY | Amgen Inc. (US) | 2013-05-08 | — | — | EP | disclosed |
| US-20130096134-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USES | AMGEN INC. (US) | 2013-04-18 | — | — | US | disclosed |
| WO-2012003271-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY | AMGEN INC. (US) | 2012-01-05 | — | — | WO | disclosed |
| US-20070224447-A1 | Organometallic Complex, Luminescent Solid, Organic el Element and Organic el Display | FUJIFILM CORPORATION (JP) | 2007-09-27 | — | — | US | disclosed |
| WO-1998057952-A1 | ISOQUINOLINE-INDOLE COMPOUNDS AS ANTIMICROBIAL AGENTS | SEPRACOR INC. (US) | 1998-12-23 | — | — | 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 (2 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-20070224447-A1 | Organometallic Complex, Luminescent Solid, Organic el Element and Organic el Display | OSTC, SELE, TPR | CYP2A6 4494/4885PLAU 4004/4885F12 4253/4885 |
| US-20130096134-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USES | MCL1, SSB, MALT1 | CYP2A6 1307/4885PLAU 4382/4885F12 2561/4885 |
“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.