Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 2/20 | 0.40 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | APEX1 | P27695 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CASP6 | P55212 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.34 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.34 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | GYS1 | P13807 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL4375599 | 0.70 | ALDH1A1 (0.53) | S100A4GPR35MEN1KMT2AALDH1A1 | |
| SCHEMBL29652066 | 0.70 | GPR35 (0.54) | S100A4GPR35CTSBALDH1A1CYP3A4 | |
| SCHEMBL27542455 | 0.70 | CASP6 (0.45) | GPR35CTSBMAPTAPEX1POLB | |
| SCHEMBL1396392 | 0.70 | HPGD (0.42) | MAPTAPEX1POLBMEN1KMT2A | |
| SCHEMBL9798917 | 0.68 | TDP1 (0.46) | S100A4GPR35MAPTMEN1KMT2A | |
| SCHEMBL1451053 | 0.67 | HPGD (0.44) | MAPTAPEX1POLBMEN1KMT2A | |
| SCHEMBL11841424 | 0.67 | HSD17B10 (0.50) | S100A4MAPTPOLBMEN1KMT2A | |
| SCHEMBL9457324 | 0.66 | ALOX5 (0.50) | MAPTMEN1KMT2AKDM4ECYP3A4 | |
| SCHEMBL27594357 | 0.66 | NPC1 (0.40) | S100A4MAPTAPEX1POLBCASP6 | |
| SCHEMBL4028189 | 0.66 | GYS1 (0.37) | S100A4GPR35MAPTGRIN2DGRIN3B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020037931-A1 | Substituted nitrated catechols, their use in the treatment of some central and peripheral nervous system disorders and pharmaceutical compositions containing them | PORTELA & C.A., S.A. (PT) | 2002-03-28 | — | — | US | disclosed |
| EP-1167341-A1 | Substituted nitrated catechols, their use in the treatment of some central and peripheral nervous system disorders and pharmaceutical compositions containing them | Portela & Ca., S.A. (PT) | 2002-01-02 | — | — | EP | disclosed |
| WO-2001098250-A1 | SUBSTITUTED NITRATED CATECHOLS, THEIR USE IN THE TREATMENT OF SOME CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | PORTELA & CA SA (PT) | 2001-12-27 | — | — | 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-20020037931-A1 | Substituted nitrated catechols, their use in the treatment of some central and peripheral nervous system disorders and pharmaceutical compositions containing them | SLC6A2, COMT, SLC6A3 | S100A4 1855/4885GPR35 1196/4885CTSB 3000/4885 |
“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.