Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.36 |
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 5/20 | 0.34 |
| ▸ | RAB9A | P51151 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28350465 | 0.84 | TSHR (0.37) | TSHRCES1CES2NPC1RAB9A | |
| SCHEMBL4876819 | 0.84 | TSHR (0.37) | TSHRCES1CES2NPC1RAB9A | |
| SCHEMBL8413587 | 0.81 | — | — | |
| SCHEMBL28442226 | 0.81 | NPC1 (0.40) | TSHRCES1CES2NPC1KMT2A | |
| SCHEMBL8343262 | 0.79 | TSHR (0.40) | TSHRNPC1RAB9AKMT2AMAPK1 | |
| SCHEMBL51519 | 0.77 | NPC1 (0.35) | TSHRCES1CES2NPC1KMT2A | |
| SCHEMBL10959754 | 0.73 | NPC1 (0.40) | TSHRCES1CES2NPC1KMT2A | |
| SCHEMBL2805922 | 0.72 | NPC1 (0.40) | TSHRCES1CES2NPC1KMT2A | |
| SCHEMBL5170532 | 0.71 | POLB (0.35) | TSHRKMT2AMAPK1MAPTCYP1A2 | |
| SCHEMBL9439006 | 0.71 | CES2 (0.36) | CES1CES2MAPK1ALDH1A1LMNA |
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-20010025045-A1 | Substituted isoquinoline derivatives and their use as anticonvulsants | SMITHKLINE BEECHAM P.L.C. | 2001-09-27 | — | — | 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-20010025045-A1 | Substituted isoquinoline derivatives and their use as anticonvulsants | INA, GRIN2C, GRIN2A | TSHR 4289/4885CES1 1603/4885CES2 406/4885 |
“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.