Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| Thiobenzoic Acid SCHEMBL2396148 | 0.89 | TSHR (0.52) | ALDH1A1TSHRKMT2AMEN1L3MBTL1 | |
| SCHEMBL9585491 | 0.84 | CA2 (0.52) | ALDH1A1CYP2A6TSHRKMT2AMEN1 | |
| Thiobenzoic Acid SCHEMBL28362422 | 0.84 | TSHR (0.43) | ALDH1A1CYP2A6TSHRKMT2AMEN1 | |
| Thiobenzoic Acid SCHEMBL28371585 | 0.84 | KMT2A (0.44) | ALDH1A1CYP2A6TSHRKMT2AMEN1 | |
| Thiobenzoic Acid SCHEMBL28198923 | 0.82 | LMNA (0.58) | ALDH1A1TSHRKMT2AMEN1LMNA | |
| Thiobenzoic Acid SCHEMBL7582715 | 0.81 | CES2 (0.56) | ALDH1A1TSHRKMT2AMEN1LMNA | |
| Toluene SCHEMBL27895318 | 0.80 | CYP2A6 (0.80) | ALDH1A1CYP2A6TSHRKMT2AMEN1 | |
| Thiobenzoic Acid SCHEMBL22325702 | 0.80 | LMNA (0.55) | ALDH1A1TSHRKMT2AMEN1LMNA | |
| Benzonitrile SCHEMBL7215389 | 0.78 | TSHR (0.74) | ALDH1A1CYP2A6TSHRKMT2AMEN1 | |
| Thiobenzoic Acid SCHEMBL23828078 | 0.77 | NPC1 (0.52) | ALDH1A1TSHRKMT2AMEN1LMNA |
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 | ALDH1A1 622/4885CYP2A6 659/4885TSHR 368/4885 |
“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.