Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.64 |
| ▸ | GRM5 | P41594 | 8/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | EGFR | P00533 | 1/20 | 0.49 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.49 |
| ▸ | MET | P08581 | 1/20 | 0.49 |
| ▸ | KDR | P35968 | 1/20 | 0.49 |
| ▸ | MERTK | Q12866 | 1/20 | 0.49 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL12436733 | 1.00 | SMYD3 (0.64) | SMYD3GRM5KDM4EGAAKMT2A | |
| SCHEMBL2241357 | 0.89 | GRM5 (0.77) | SMYD3GRM5KDM4EGAAKMT2A | |
| SCHEMBL25393971 | 0.87 | SMYD3 (0.65) | SMYD3GRM5KDM4EGAAKMT2A | |
| SCHEMBL30599111 | 0.86 | SMYD3 (0.61) | SMYD3GRM5KDM4EGAAKMT2A | |
| SCHEMBL25395633 | 0.86 | SMYD3 (0.61) | SMYD3GRM5KDM4EGAAKMT2A | |
| SCHEMBL14492281 | 0.85 | GRM5 (0.67) | SMYD3GRM5KDM4EGAAKMT2A | |
| SCHEMBL14506761 | 0.85 | GRM5 (0.67) | SMYD3GRM5KDM4EGAAKMT2A | |
| SCHEMBL30043946 | 0.84 | GRM5 (0.68) | SMYD3GRM5KDM4EGAAKMT2A | |
| SCHEMBL2246381 | 0.83 | GRM5 (0.82) | SMYD3GRM5KDM4EGAAKMT2A | |
| SCHEMBL16394406 | 0.83 | GRM5 (0.88) | SMYD3GRM5KDM4EGAAKMT2A |
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-RE49686-E1 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2023-10-10 | — | — | US | disclosed |
| US-RE48334-E1 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2020-12-01 | — | — | US | disclosed |