Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MERTK | Q12866 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.31 |
| ▸ | F2 | P00734 | 2/20 | 0.31 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.31 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.31 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.31 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL742980 | 0.85 | POLB (0.44) | ALDH1A1LMNAMAPTNPSR1MITF | |
| SCHEMBL762777 | 0.78 | TSHR (0.33) | MERTKTSHRMAPK1ALDH1A1VCAM1 | |
| SCHEMBL762323 | 0.77 | — | — | |
| SCHEMBL10123644 | 0.75 | ALDH1A1 (0.39) | MERTKTSHRMAPK1ALDH1A1VCAM1 | |
| SCHEMBL762325 | 0.73 | KMT2A (0.35) | TSHRMAPK1ALDH1A1LMNACYP1A2 | |
| SCHEMBL275830 | 0.68 | MAPT (0.55) | MAPTHTTSMN1; SMN2 | |
| SCHEMBL762317 | 0.67 | ATM (0.33) | — | |
| SCHEMBL744523 | 0.63 | POLB (0.42) | ALDH1A1LMNAMAPTNPSR1MITF | |
| SCHEMBL3973969 | 0.62 | TSHR (0.69) | TSHRMAPK1ALDH1A1VCAM1LMNA | |
| SCHEMBL762315 | 0.61 | ATM (0.34) | — |
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-8138336-B2 | Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase | BAYER HEALTHCARE LLC (US) | 2012-03-20 | — | — | US | disclosed |
| US-20100273800-A1 | PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE | BAYER HEALTHCARE LLC | 2010-10-28 | — | — | 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-20100273800-A1 | PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE | AURKC, AURKA, PLK1 | MERTK 1649/4885TSHR 4054/4885MAPK1 1333/4885 |
“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.