Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.46 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.45 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | IDH1 | O75874 | 1/20 | 0.41 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | CKS1B | P61024 | 1/20 | 0.40 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18214442 | 0.86 | CYP3A4 (0.76) | CYP3A4ALDH1A1TDP1CYP1A2CYP2C19 | |
| SCHEMBL20148117 | 0.84 | CYP3A4 (0.78) | CYP3A4ALDH1A1TDP1CYP1A2CYP2C19 | |
| SCHEMBL18214373 | 0.83 | CYP3A4 (0.76) | CYP3A4ALDH1A1TDP1CYP1A2CYP2C19 | |
| SCHEMBL11308370 | 0.83 | CYP3A4 (0.76) | CYP3A4ALDH1A1TDP1GRM2CYP1A2 | |
| SCHEMBL5671273 | 0.83 | CYP3A4 (0.76) | CYP3A4ALDH1A1TDP1CYP1A2CYP2C19 | |
| SCHEMBL5671269 | 0.83 | CYP3A4 (0.76) | CYP3A4ALDH1A1TDP1CYP1A2CYP2C19 | |
| Dihydrokawain SCHEMBL2743647 | 0.83 | CYP3A4 (1.00) | CYP3A4ALDH1A1TDP1CYP1A2CYP2C19 | |
| SCHEMBL18214340 | 0.81 | CYP3A4 (0.72) | CYP3A4ALDH1A1TDP1CYP1A2CYP2C19 | |
| SCHEMBL12371088 | 0.81 | CYP4A11 (0.49) | CYP3A4ALDH1A1CYP4A11CYP4F2LOXL2 | |
| SCHEMBL18214367 | 0.80 | CYP3A4 (0.70) | CYP3A4ALDH1A1TDP1CYP1A2CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030236302-A1 | Synthetic derivatives | SYNTA PHARMACEUTICALS CORP. | 2003-12-25 | — | — | US | disclosed |
| WO-2003072103-A1 | SYNTHETIC DERIVATIVES | KAVA PHARMACEUTICALS, INC. (US) | 2003-09-04 | — | — | 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 (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-20030236302-A1 | Synthetic derivatives | CBR1, CBR3, REL | CYP3A4 169/4885ALDH1A1 1421/4885TDP1 3358/4885 |
“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.