Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | COMT | P21964 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | TFPI2 | P48307 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | PRKCI | P41743 | 1/20 | 0.36 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.36 |
| ▸ | FABP4 | P15090 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13444455 | 0.88 | MAPT (0.53) | ROCK1MAPTRXFP1MAOBHTR2A | |
| SCHEMBL14864805 | 0.86 | RXFP1 (0.52) | ROCK1MAPTRXFP1MAOBHTR2A | |
| SCHEMBL4629027 | 0.85 | PRKCI (0.55) | ROCK1MAPTRXFP1HTR2AHTR2C | |
| SCHEMBL13183573 | 0.85 | ROCK1 (0.48) | ROCK1MAPTRXFP1MAOBHTR2A | |
| SCHEMBL17067770 | 0.83 | FGFR1 (0.51) | ROCK1MAPTRXFP1MAOBHTR2A | |
| SCHEMBL5605304 | 0.81 | ROCK1 (0.51) | ROCK1MAPTHTR2CCYP2A6CYP1A2 | |
| SCHEMBL5216431 | 0.81 | BIRC5 (0.55) | ROCK1MAPTCOMTHPGDL3MBTL1 | |
| SCHEMBL8736804 | 0.80 | ROCK1 (0.54) | ROCK1MAPTRXFP1MAOBHTR2A | |
| SCHEMBL9463558 | 0.80 | KCNH2 (0.65) | ROCK1MAPTRXFP1MAOBHTR2A | |
| SCHEMBL14864787 | 0.78 | ROCK1 (0.44) | ROCK1MAPTRXFP1MAOBHTR2A |
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-8212056-B2 | Ligands for transition-metals and methods of use | THE HONG KONG POLYTECHNIC UNIVERSITY (CN) | 2012-07-03 | — | — | US | disclosed |
| US-20090326243-A1 | Ligands for transition-metals and methods of use | THE HONG KONG POLYTECHNIC UNIVERSITY (HK) | 2009-12-31 | — | — | 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-20090326243-A1 | Ligands for transition-metals and methods of use | PDK4, PDXK, PDK3 | ROCK1 2180/4885MAPT 667/4885RXFP1 4043/4885 |
“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.