Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9883152 | 0.81 | TRPA1 (0.42) | TRPA1CYP1A2CYP2A6SMN1; SMN2ELANE | |
| SCHEMBL17232439 | 0.79 | SMN1; SMN2 (0.44) | CYP1A2CYP2A6SMN1; SMN2GAAKDM4E | |
| SCHEMBL15047875 | 0.77 | CYP1A2 (0.39) | TRPA1CYP1A2CYP2A6GAANPSR1 | |
| SCHEMBL8352162 | 0.74 | NOS3 (0.47) | TRPA1CYP1A2CYP2A6SMN1; SMN2GAA | |
| SCHEMBL9880943 | 0.72 | ALDH1A1 (0.41) | SMN1; SMN2GAACYP2C19KIF11AKR1C2 | |
| SCHEMBL12064451 | 0.72 | TRPA1 (0.41) | TRPA1CYP1A2CYP2A6SMN1; SMN2ELANE | |
| SCHEMBL19256970 | 0.72 | CNR2 (0.38) | — | |
| SCHEMBL3083764 | 0.70 | TRPM4 (0.45) | CYP1A2CYP2A6KDM4ECYP2C19HIF1A | |
| SCHEMBL26027606 | 0.69 | TRPA1 (0.50) | TRPA1CYP1A2CYP2A6GAAKDM4E | |
| SCHEMBL17221498 | 0.68 | RECQL (0.44) | KDM4ECYP3A4CYP2C19HIF1AMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8394826-B2 | Dual mechanism inhibitors for the treatment of disease | AERIE PHARMACEUTICALS, INC. (US) | 2013-03-12 | — | — | US | disclosed |
| US-20120135984-A1 | DUAL-ACTION INHBITORS AND METHODS OF USING SAME | AERIE PHARMACEUTICALS, INC. | 2012-05-31 | — | — | US | disclosed |
| US-20100280011-A1 | DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE | ALCON INC. (CH) | 2010-11-04 | — | — | 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 (2 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-20120135984-A1 | DUAL-ACTION INHBITORS AND METHODS OF USING SAME | SLC6A2, ROCK2, SLC6A4 | TRPA1 4080/4885CYP1A2 1088/4885CYP2A6 2518/4885 |
| US-20100280011-A1 | DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE | RHOA, SLC6A2, ROCK2 | TRPA1 3206/4885CYP1A2 1339/4885CYP2A6 2488/4885 |
“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.