Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | S100B | P04271 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13474635 | 0.81 | LPL (0.38) | — | |
| SCHEMBL12513170 | 0.81 | ALDH1A1 (0.41) | ALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL10085659 | 0.80 | LPL (0.33) | — | |
| SCHEMBL203495 | 0.79 | ALDH1A1 (0.34) | ALDH1A1CYP3A4TDP1 | |
| SCHEMBL13186080 | 0.78 | LPL (0.34) | — | |
| SCHEMBL12970503 | 0.78 | CYP3A4 (0.33) | ALDH1A1CYP3A4 | |
| SCHEMBL12394666 | 0.78 | NOS3 (0.39) | — | |
| SCHEMBL13217765 | 0.77 | LPL (0.33) | — | |
| SCHEMBL60127 | 0.76 | LPL (0.47) | ALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL13270509 | 0.76 | ALDH1A1 (0.35) | ALDH1A1TDP1TSHR |
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-8129379-B2 | Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis | BAYER HEALTHCARE LLC (US) | 2012-03-06 | — | — | US | disclosed |
| US-20100179125-A1 | SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS | BAYER HEALTHCARE LLC (US) | 2010-07-15 | — | — | 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-20100179125-A1 | SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS | CDK4, CDKL4, MKI67 | ALDH1A1 3325/4885CYP3A4 3172/4885TDP1 493/4885 |
“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.