Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 2/20 | 0.61 |
| ▸ | NPC1 | O15118 | 6/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.44 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | FBP1 | P09467 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13610503 | 0.86 | PDK1 (0.57) | PDK1NPC1SMN1; SMN2RAB9APOLB | |
| SCHEMBL13610522 | 0.81 | PDK1 (0.57) | PDK1NPC1SMN1; SMN2RAB9ACYP1A2 | |
| SCHEMBL13610361 | 0.80 | PDK1 (0.58) | PDK1NPC1SMN1; SMN2RAB9APOLB | |
| SCHEMBL13610326 | 0.77 | ALDH1A1 (0.56) | PDK1NPC1SMN1; SMN2RAB9APOLB | |
| SCHEMBL9464963 | 0.76 | PDK1 (0.56) | PDK1NPC1SMN1; SMN2RAB9ACYP1A2 | |
| SCHEMBL13610424 | 0.75 | PDK1 (0.56) | PDK1NPC1SMN1; SMN2RAB9APOLB | |
| SCHEMBL13610465 | 0.75 | PDK1 (0.52) | PDK1NPC1SMN1; SMN2RAB9APOLB | |
| SCHEMBL13610382 | 0.74 | PDK1 (0.51) | PDK1NPC1RAB9APOLBALDH1A1 | |
| SCHEMBL13610398 | 0.74 | PDK1 (0.51) | PDK1SMN1; SMN2RAB9ACYP1A2CYP2D6 | |
| SCHEMBL13610444 | 0.74 | PDK1 (0.51) | PDK1NPC1SMN1; SMN2RAB9ACYP2C9 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8334316-B2 | Substituted organosulfur compounds and methods of using thereof | ACEA BIOSCIENCES, INC. (US) | 2012-12-18 | — | — | US | disclosed |
| US-8334316-B2 | Substituted organosulfur compounds and methods of using thereof | ACEA BIOSCIENCES, INC. (US) | 2012-12-18 | — | — | US | disclosed |
| US-7622507-B2 | Substituted organosulfur compounds and methods of using thereof | ACEA BIOSCIENCES INC. (US) | 2009-11-24 | — | — | US | disclosed |
| US-7622507-B2 | Substituted organosulfur compounds and methods of using thereof | ACEA BIOSCIENCES INC. (US) | 2009-11-24 | — | — | US | disclosed |
| US-20090192146-A1 | SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF | ACEA BIOSCIENCES, INC. (US) | 2009-07-30 | — | — | US | disclosed |
| US-20090192146-A1 | SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF | ACEA BIOSCIENCES, INC. (US) | 2009-07-30 | — | — | 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-20090192146-A1 | SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF | TST, CTH, CBS | PDK1 2965/4885NPC1 3127/4885SMN1; SMN2 1171/4885 |
“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.