Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 7/20 | 0.56 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.46 |
| ▸ | MET | P08581 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | MERTK | Q12866 | 1/20 | 0.46 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7197995 | 0.86 | GRM5 (0.68) | GRM5NPC1ALDH1A1RAB9AGAA | |
| SCHEMBL29590900 | 0.86 | GRM5 (0.68) | GRM5NPC1ALDH1A1RAB9AGAA | |
| SCHEMBL23425256 | 0.86 | GRM5 (0.68) | GRM5NPC1ALDH1A1RAB9AGAA | |
| SCHEMBL7218492 | 0.86 | GRM5 (0.68) | GRM5NPC1ALDH1A1RAB9AGAA | |
| SCHEMBL30043552 | 0.83 | GRM5 (0.61) | GRM5GAACYP1A2SMYD3EGFR | |
| SCHEMBL30044693 | 0.83 | GRM5 (0.61) | GRM5GAACYP1A2SMYD3EGFR | |
| SCHEMBL30043283 | 0.83 | GRM5 (0.61) | GRM5GAACYP1A2SMYD3EGFR | |
| SCHEMBL4735546 | 0.81 | TAS1R3 (0.44) | NPC1ALDH1A1RAB9AGAASMN1; SMN2 | |
| SCHEMBL30975217 | 0.81 | GRM5 (0.65) | GRM5NPC1ALDH1A1RAB9AGAA | |
| SCHEMBL30044039 | 0.81 | GRM5 (0.65) | GRM5NPC1ALDH1A1RAB9AGAA |
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-20200317615-A1 | PALLADIUM (II)-CATALYZED gammaC(SP3)-H ALKYNYLATION OF AMINE2 | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2020-10-08 | — | — | US | disclosed |
| US-10787418-B1 | Palladium (II)-catalyzed γC(SP3)-H alkynylation of amines | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2020-09-29 | — | — | 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 (2 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-20200317615-A1 | PALLADIUM (II)-CATALYZED gammaC(SP3)-H ALKYNYLATION OF AMINE2 | POLE3, BUB3, POLR2H | GRM5 1562/4885NPC1 4151/4885ALDH1A1 2497/4885 |
| US-10787418-B1 | Palladium (II)-catalyzed γC(SP3)-H alkynylation of amines | POLE3, BUB3, POLR2H | GRM5 1659/4885NPC1 4039/4885ALDH1A1 2577/4885 |
“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.