Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CDK4 | P11802 | 1/20 | 0.36 |
| ▸ | CCND1 | P24385 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 10/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 8/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 8/20 | 0.35 |
| ▸ | GABRP | O00591 | 6/20 | 0.35 |
| ▸ | GABRD | O14764 | 6/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 6/20 | 0.35 |
| ▸ | GABRB1 | P18505 | 6/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 6/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 6/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 6/20 | 0.35 |
| ▸ | GABRA4 | P48169 | 6/20 | 0.35 |
| ▸ | GABRE | P78334 | 6/20 | 0.35 |
| ▸ | GABRA6 | Q16445 | 6/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2789371 | 0.80 | KDM4E (0.40) | GRIN1GRIN2AGABRB3GABRA2GABRB2 | |
| SCHEMBL25342386 | 0.77 | MAPT (0.38) | KMT2ATP53CDK4CCND1NPC1 | |
| SCHEMBL20266798 | 0.75 | MAP3K5 (0.42) | GRIN1GRIN2ATP53NPC1RAB9A | |
| SCHEMBL12680485 | 0.73 | TP53 (0.49) | HSD17B10TP53NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL31417248 | 0.70 | AURKA (0.42) | GRIN1GRIN2ATP53NPC1RAB9A | |
| SCHEMBL31417130 | 0.70 | KDM4E (0.53) | KMT2AHSD17B10TP53NPC1PKM | |
| SCHEMBL18358420 | 0.70 | MAP3K5 (0.39) | GRIN1GRIN2ATP53TSHR | |
| SCHEMBL18358241 | 0.69 | KDM4E (0.36) | GRIN1GRIN2APDE10A | |
| SCHEMBL14079525 | 0.69 | TP53 (0.45) | KMT2AHSD17B10TP53GABRB3GABRA2 | |
| SCHEMBL24393151 | 0.69 | HTT (0.38) | KMT2AHSD17B10TP53CDK4CCND1 |
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-20180169072-A1 | SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS | MERCK SHARP & DOHME LLC | 2018-06-21 | — | — | 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-20180169072-A1 | SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS | PDE2A, PDE3A, PDE4D | GRIN1 668/4885GRIN2A 131/4885KMT2A 1139/4885 |
“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.