Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | CCKBR | P32239 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13869160 | 1.00 | CYP2C19 (0.36) | CYP2C19TSHRMAPTBCHEACHE | |
| SCHEMBL11380824 | 0.90 | CYP2C19 (0.41) | CYP2C19TSHRMAPTPDPK1MTOR | |
| SCHEMBL13869157 | 0.86 | PDPK1 (0.40) | CYP2C19TSHRMAPTBCHEACHE | |
| SCHEMBL13869159 | 0.86 | PDPK1 (0.40) | CYP2C19TSHRMAPTBCHEACHE | |
| SCHEMBL28345301 | 0.86 | PDPK1 (0.40) | CYP2C19TSHRMAPTBCHEACHE | |
| SCHEMBL15366445 | 0.84 | FUCA1 (0.42) | CYP2C19TSHRMAPTBCHEPDPK1 | |
| SCHEMBL17265333 | 0.84 | FUCA1 (0.42) | CYP2C19TSHRMAPTBCHEPDPK1 | |
| SCHEMBL15366444 | 0.84 | FUCA1 (0.42) | CYP2C19TSHRMAPTBCHEPDPK1 | |
| SCHEMBL17265338 | 0.83 | CYP2C19 (0.40) | CYP2C19TSHRMAPTBCHEPDPK1 | |
| SCHEMBL13796648 | 0.83 | TSHR (0.40) | CYP2C19TSHRMAPTPDPK1MTOR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150329582-A1 | SMALL MOLECULE COMPOUNDS SELECTIVE AGAINST GRAM-NEGATIVE BACTERIAL INFECTIONS | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM | 2015-11-19 | — | — | 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-20150329582-A1 | SMALL MOLECULE COMPOUNDS SELECTIVE AGAINST GRAM-NEGATIVE BACTERIAL INFECTIONS | MANBA, DDOST, PGLS | CYP2C19 4244/4885TSHR 4682/4885MAPT 4591/4885 |
“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.