Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCL2 | P10415 | 4/20 | 0.63 |
| ▸ | MCL1 | Q07820 | 4/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 5/20 | 0.53 |
| ▸ | APEX1 | P27695 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | CASP6 | P55212 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | MAOA | P21397 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.51 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.51 |
| ▸ | RECQL | P46063 | 2/20 | 0.51 |
| ▸ | DAPK1 | P53355 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL11515026 | 0.89 | ALDH1A1 (0.56) | BCL2MCL1ALDH1A1CYP3A4TSHR | |
| SCHEMBL11076561 | 0.82 | BCL2 (0.53) | BCL2MCL1ALDH1A1CYP3A4TSHR | |
| SCHEMBL11775580 | 0.82 | ALDH1A1 (0.54) | BCL2MCL1ALDH1A1CYP3A4TSHR | |
| SCHEMBL7430478 | 0.81 | NPC1 (0.54) | BCL2MCL1ALDH1A1CYP3A4TSHR | |
| SCHEMBL10355812 | 0.81 | ALDH1A1 (0.67) | BCL2MCL1ALDH1A1CYP3A4TSHR | |
| SCHEMBL11515022 | 0.80 | ALDH1A1 (0.57) | BCL2MCL1ALDH1A1CYP3A4TSHR | |
| SCHEMBL8204960 | 0.79 | MAPT (0.50) | BCL2MCL1ALDH1A1CYP3A4TSHR | |
| SCHEMBL11775584 | 0.79 | MCL1 (0.51) | BCL2MCL1ALDH1A1CYP3A4TSHR | |
| SCHEMBL29388375 | 0.78 | BCL2 (1.00) | BCL2MCL1ALDH1A1CYP3A4MAPT | |
| SCHEMBL555230 | 0.78 | BCL2 (1.00) | BCL2MCL1ALDH1A1CYP3A4MAPT |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1454203-A | Substituted nitrated catechols, their use in the treatment of certain central and peripheral nervous system disorders and pharmaceutical compositions containing them | PORTELA & CA SA (PT) | 2003-11-05 | — | — | CN | claimed |
| 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 | claimed |
| 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 | claimed |
| 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 | claimed |
| 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 | BCL2 4689/4885MCL1 4448/4885ALDH1A1 477/4885 |
“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.