Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPH1 | P17752 | 2/20 | 0.50 |
| ▸ | GRB2 | P62993 | 1/20 | 0.48 |
| ▸ | NOS3 | P29474 | 2/20 | 0.47 |
| ▸ | NOS1 | P29475 | 2/20 | 0.47 |
| ▸ | NOS2 | P35228 | 2/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | DPP4 | P27487 | 2/20 | 0.44 |
| ▸ | FAP | Q12884 | 2/20 | 0.44 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.44 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.44 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL540497 | 1.00 | TPH1 (0.50) | TPH1GRB2NOS3NOS1NOS2 | |
| Hydrochloric Acid SCHEMBL540498 | 0.99 | TPH1 (0.49) | TPH1GRB2NOS3NOS1NOS2 | |
| Hydrochloric Acid SCHEMBL540496 | 0.99 | TPH1 (0.49) | TPH1GRB2NOS3NOS1NOS2 | |
| SCHEMBL3746453 | 0.96 | GRB2 (0.51) | TPH1GRB2NOS3NOS1NOS2 | |
| SCHEMBL3746455 | 0.96 | GRB2 (0.51) | TPH1GRB2NOS3NOS1NOS2 | |
| SCHEMBL5367325 | 0.96 | GRB2 (0.51) | TPH1GRB2NOS3NOS1NOS2 | |
| Hydrochloric Acid SCHEMBL3993099 | 0.94 | GRB2 (0.50) | TPH1GRB2NOS3NOS1NOS2 | |
| Hydrochloric Acid SCHEMBL5367319 | 0.94 | GRB2 (0.50) | TPH1GRB2NOS3NOS1NOS2 | |
| Hydrochloric Acid SCHEMBL27472608 | 0.94 | GRB2 (0.50) | TPH1GRB2NOS3NOS1NOS2 | |
| Hydrochloric Acid SCHEMBL3499707 | 0.84 | MAOB (0.61) | PPARGMAOB |
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-7459472-B2 | Aryl and heteroaryl compounds, compositions, and methods of use | TRANSTECH PHARMA, INC. (US) | 2008-12-02 | — | — | US | disclosed |
| US-20050250945-A1 | Triazine compounds as inhibitors of bacterial type III protein secretion systems | JANSSEN PHARMACEUTICA, N.V. (BE) | 2005-11-10 | — | — | US | disclosed |
| US-20050059713-A1 | Aryl and heteroaryl compounds, compositions, and methods of use | VTVX HOLDINGS I LLC | 2005-03-17 | — | — | US | disclosed |
| WO-2005014534-A1 | ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | TRANSTECH PHARMA, INC. (US) | 2005-02-17 | — | — | WO | 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-20050250945-A1 | Triazine compounds as inhibitors of bacterial type III protein secretion systems | PSMB5, GTF3C3, GTF3C5 | TPH1 2807/4885GRB2 2819/4885NOS3 931/4885 |
| US-20050059713-A1 | Aryl and heteroaryl compounds, compositions, and methods of use | CYP2F1, CYP3A43, PNPO | TPH1 843/4885GRB2 2448/4885NOS3 4004/4885 |
“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.