Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 4/20 | 0.54 |
| ▸ | MAOA | P21397 | 3/20 | 0.54 |
| ▸ | IDO1 | P14902 | 6/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL164241 | 0.86 | CA12 (0.59) | IDO1CA12CA1CA2CA9 | |
| SCHEMBL36459 | 0.82 | CA12 (0.59) | IDO1CA12CA1CA2CA9 | |
| SCHEMBL20815367 | 0.81 | HDAC3 (0.56) | IDO1CA12CA1CA2CA9 | |
| Bromide SCHEMBL31311108 | 0.81 | IDO1 (0.57) | MAOBMAOAIDO1CA12CA1 | |
| SCHEMBL6721001 | 0.80 | CA12 (0.52) | IDO1CA12CA1CA2CA9 | |
| SCHEMBL1524417 | 0.79 | CA12 (0.53) | IDO1CA12CA1CA2CA9 | |
| SCHEMBL4386352 | 0.78 | CA12 (0.50) | IDO1CA12CA1CA2CA9 | |
| SCHEMBL7584270 | 0.78 | L3MBTL1 (0.54) | IDO1CA12CA1CA2CA9 | |
| SCHEMBL7573418 | 0.78 | CA12 (0.50) | IDO1CA12CA1CA2CA9 | |
| SCHEMBL15669271 | 0.77 | CA12 (0.42) | IDO1CA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-6458968-B2 | REACTING A CARBOXYLIC ACID COMPOUND WITH AN ALCOHOL OR MERCAPTAN, THEN PHOSPHORUS PENTASULFIDE | RENSSELAER POLYTECHNIC INSTITUTE | 2002-10-01 | — | — | US | claimed |
| US-20020019554-A1 | Dithiocarboxylic ester synthetic process | RENSSELAER POLYTECHNIC INSTITUTE | 2002-02-14 | — | — | US | claimed |
| US-6458968-B2 | REACTING A CARBOXYLIC ACID COMPOUND WITH AN ALCOHOL OR MERCAPTAN, THEN PHOSPHORUS PENTASULFIDE | RENSSELAER POLYTECHNIC INSTITUTE | 2002-10-01 | — | — | US | disclosed |
| US-20020019554-A1 | Dithiocarboxylic ester synthetic process | RENSSELAER POLYTECHNIC INSTITUTE | 2002-02-14 | — | — | 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-20020019554-A1 | Dithiocarboxylic ester synthetic process | TST, PCCA, CTH | MAOB 2146/4885MAOA 1902/4885IDO1 3497/4885 |
“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.