Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | RGS12 | O14924 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12809174 | 0.82 | MEN1 (0.36) | MEN1KMT2ANPC1RAB9AL3MBTL1 | |
| SCHEMBL13594635 | 0.78 | EGFR (0.40) | MEN1KMT2ANPC1RAB9AL3MBTL1 | |
| SCHEMBL532655 | 0.76 | EGFR (0.54) | MEN1KMT2ANPC1RAB9AL3MBTL1 | |
| SCHEMBL9077264 | 0.73 | HSD17B10 (0.52) | MEN1KMT2AEGFRLMNAPOLB | |
| SCHEMBL12762222 | 0.73 | MAPT (0.39) | MEN1KMT2ANPC1RAB9AMAPT | |
| SCHEMBL10058199 | 0.73 | ESR1 (0.41) | MEN1KMT2AMAPTALDH1A1EGFR | |
| Methyl Alcohol SCHEMBL27630444 | 0.73 | EGFR (0.50) | MEN1KMT2ANPC1RAB9AL3MBTL1 | |
| SCHEMBL766049 | 0.73 | LMNA (0.44) | MEN1KMT2ANPC1RAB9AHSP90AA1 | |
| SCHEMBL11213358 | 0.73 | CA14 (0.46) | MEN1KMT2ANPC1RAB9AL3MBTL1 | |
| SCHEMBL6832220 | 0.73 | PKM (0.38) | KMT2ANPC1RAB9AMAPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3898588-B1 | DISUBSTITUTED ALKYNE DERIVATIVES | MERCK PATENT GMBH (DE) | 2023-01-11 | — | — | EP | disclosed |
| WO-2020127960-A1 | DISUBSTITUTED ALKYNE DERIVATIVES | MERCK PATENT GMBH (DE) | 2020-06-25 | — | — | WO | disclosed |