Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 6/20 | 0.48 |
| ▸ | NOS1 | P29475 | 6/20 | 0.48 |
| ▸ | NOS2 | P35228 | 6/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | INMT | O95050 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10278309 | 1.00 | NOS3 (0.48) | NOS3NOS1NOS2KMT2AMEN1 | |
| SCHEMBL13368316 | 1.00 | NOS3 (0.48) | NOS3NOS1NOS2KMT2AMEN1 | |
| SCHEMBL10296536 | 1.00 | — | — | |
| SCHEMBL29282073 | 1.00 | NOS3 (0.48) | NOS3NOS1NOS2KMT2AMEN1 | |
| SCHEMBL16489783 | 1.00 | — | — | |
| SCHEMBL13368176 | 1.00 | NOS3 (0.48) | NOS3NOS1NOS2KMT2AMEN1 | |
| SCHEMBL24971583 | 1.00 | NOS3 (0.48) | NOS3NOS1NOS2KMT2AMEN1 | |
| SCHEMBL8329831 | 1.00 | NOS3 (0.48) | NOS3NOS1NOS2KMT2AMEN1 | |
| SCHEMBL14441515 | 1.00 | NOS3 (0.48) | NOS3NOS1NOS2KMT2AMEN1 | |
| SCHEMBL4280209 | 0.97 | — | — |
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-20170066754-A1 | ANTIVIRAL AGENT | SHIONOGI & CO., LTD. (JP) | 2017-03-09 | — | — | US | disclosed |
| US-20110190335-A1 | NITROGENATED 5-MEMBERED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-08-04 | — | — | 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 (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-20110190335-A1 | NITROGENATED 5-MEMBERED HETEROCYCLIC COMPOUND | GCKR, GCK, SLC5A1 | NOS3 74/4885NOS1 48/4885NOS2 60/4885 |
| US-20170066754-A1 | ANTIVIRAL AGENT | ZC3HAV1, ZC3HAV1L, CCNI | NOS3 2998/4885NOS1 2645/4885NOS2 2756/4885 |
“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.