Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KYAT1 | Q16773 | 3/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | GAA | P10253 | 4/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL29052500 | 1.00 | KYAT1 (0.57) | KYAT1NPSR1MAPTGAAMAPK1 | |
| SCHEMBL20022409 | 1.00 | KYAT1 (0.57) | KYAT1NPSR1MAPTGAAMAPK1 | |
| SCHEMBL15183794 | 0.90 | MAPT (0.50) | KYAT1NPSR1MAPTGAAMAPK1 | |
| SCHEMBL29052483 | 0.86 | MAPT (0.52) | KYAT1NPSR1MAPTGAAKMT2A | |
| SCHEMBL15047065 | 0.85 | KYAT1 (0.60) | KYAT1NPSR1MAPTGAAMAPK1 | |
| SCHEMBL5442778 | 0.82 | KYAT1 (0.63) | KYAT1NPSR1MAPTGAAMAPK1 | |
| SCHEMBL5442782 | 0.82 | KYAT1 (0.63) | KYAT1NPSR1MAPTGAAMAPK1 | |
| SCHEMBL7925134 | 0.82 | KYAT1 (0.63) | KYAT1NPSR1MAPTGAAMAPK1 | |
| SCHEMBL21504092 | 0.80 | KYAT1 (0.63) | KYAT1NPSR1MAPTGAAMAPK1 | |
| SCHEMBL28276370 | 0.80 | KYAT1 (0.63) | KYAT1NPSR1MAPTGAAMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025235874-A1 | HETEROCYCLICS AS EGFR INHIBITORS | SCHRÖDINGER, INC. (US) | 2025-11-13 | — | — | WO | disclosed |