Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 4/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.39 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1617879 | 0.90 | SMPD1 (0.47) | SMPD1HDAC1HDAC8HDAC6NPC1 | |
| SCHEMBL1616923 | 0.89 | SMPD1 (0.46) | SMPD1HDAC1HDAC8HDAC6NPC1 | |
| SCHEMBL1617764 | 0.89 | HTT (0.46) | SMPD1HDAC1HDAC8HDAC6NPC1 | |
| SCHEMBL8037100 | 0.89 | SMPD1 (0.44) | SMPD1HDAC1HDAC8HDAC6NPC1 | |
| SCHEMBL1618359 | 0.88 | SMPD1 (0.48) | SMPD1HDAC1HDAC8HDAC6NPC1 | |
| SCHEMBL1617930 | 0.86 | ATM (0.47) | SMPD1HDAC1HDAC8HDAC6NPC1 | |
| SCHEMBL1618535 | 0.86 | SMPD1 (0.45) | SMPD1HDAC1HDAC8HDAC6NPC1 | |
| SCHEMBL8040270 | 0.86 | SMPD1 (0.44) | SMPD1HDAC1HDAC8HDAC6NPC1 | |
| SCHEMBL1616506 | 0.85 | NPC1 (0.46) | SMPD1HDAC1HDAC8HDAC6NPC1 | |
| SCHEMBL1618373 | 0.85 | MEN1 (0.52) | SMPD1HDAC1HDAC8HDAC6NPC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2246338-B1 | NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE, AND USE OF THE PHARMACEUTICAL COMPOSITION | KISSEI PHARMACEUTICAL (JP) | 2013-11-20 | — | — | EP | disclosed |
| US-7923462-B2 | Catechol derivative, pharmaceutical composition containing the same, use of the catechol derivative, and use of the pharmaceutical composition | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2011-04-12 | — | — | US | disclosed |
| US-20100280083-A1 | NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE, AND USE OF THE PHARMACEUTICAL COMPOSITION | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2010-11-04 | — | — | US | disclosed |
| EP-2246338-A1 | NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE, AND USE OF THE PHARMACEUTICAL COMPOSITION | Kissei Pharmaceutical Co., Ltd. (JP) | 2010-11-03 | — | — | EP | 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-20100280083-A1 | NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE, AND USE OF THE PHARMACEUTICAL COMPOSITION | COMT, CYP2D6, CYP3A43 | SMPD1 2029/4885HDAC1 2130/4885HDAC8 3689/4885 |
“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.