Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 5/20 | 0.55 |
| ▸ | CA2 | P00918 | 5/20 | 0.55 |
| ▸ | CES2 | O00748 | 2/20 | 0.52 |
| ▸ | CES1 | P23141 | 2/20 | 0.52 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.48 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.48 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | PLK1 | P53350 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5217024 | 0.87 | CES2 (0.61) | ALDH1A1CYP1A2CA1CA2CES2 | |
| SCHEMBL6554648 | 0.85 | ALDH1A1 (0.64) | ALDH1A1CYP1A2CA1CA2CES2 | |
| SCHEMBL29589535 | 0.84 | CES2 (0.67) | ALDH1A1CYP1A2CA1CA2CES2 | |
| SCHEMBL9369669 | 0.83 | CA1 (0.59) | ALDH1A1CYP1A2CA1CA2CES2 | |
| SCHEMBL28018143 | 0.80 | EPHX2 (0.43) | ALDH1A1NPC1RAB9A | |
| SCHEMBL18082660 | 0.80 | PLK1 (0.56) | ALDH1A1CYP1A2CA1CA2CES2 | |
| SCHEMBL2852255 | 0.79 | HDAC3 (0.48) | ALDH1A1CYP1A2CA1CA2CES2 | |
| SCHEMBL12453 | 0.79 | CES2 (0.61) | ALDH1A1CYP1A2CA1CA2CES2 | |
| SCHEMBL1109663 | 0.79 | KMT2A (0.51) | ALDH1A1CES2CES1MAPTNPC1 | |
| SCHEMBL28180008 | 0.79 | RAB9A (0.68) | ALDH1A1CYP1A2CA1CA2CES2 |
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-8101644-B2 | Pyrrolinone derivative and pharmaceutical composition comprising the same | SHIONOGI & CO., LTD. (JP) | 2012-01-24 | — | — | US | disclosed |
| US-20120010199-A1 | NOVEL PYRROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | KAI HIROYUKI (JP) | 2012-01-12 | — | — | 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-20120010199-A1 | NOVEL PYRROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | P2RX3, P2RX2, P2RX1 | ALDH1A1 1235/4885CYP1A2 1012/4885CA1 2492/4885 |
“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.