Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FPR2 | P25090 | 2/20 | 0.39 |
| ▸ | CCR1 | P32246 | 1/20 | 0.39 |
| ▸ | CCR5 | P51681 | 1/20 | 0.39 |
| ▸ | CCR8 | P51685 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 2/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | BCR | P11274 | 1/20 | 0.35 |
| ▸ | KMO | O15229 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL26050415 | 0.84 | EGFR (0.43) | FPR2MEN1KMT2AEGFRKMO | |
| SCHEMBL21289786 | 0.84 | ERN1 (0.43) | RAB9AMEN1KMT2ANPC1EGFR | |
| SCHEMBL21290302 | 0.82 | MAPT (0.41) | CCR1CCR5CCR8RAB9AMEN1 | |
| SCHEMBL15334799 | 0.79 | ACHE (0.47) | RAB9AMEN1KMT2ANPC1EGFR | |
| SCHEMBL21290169 | 0.78 | NPC1 (0.52) | RAB9AMEN1KMT2ANPC1EGFR | |
| SCHEMBL15345108 | 0.76 | RAB9A (0.56) | FPR2CCR1CCR5CCR8RAB9A | |
| SCHEMBL15011554 | 0.75 | SMPD3 (0.50) | EGFRABL1BCRSNCA | |
| SCHEMBL21412245 | 0.75 | EGFR (0.36) | RAB9AMEN1KMT2ANPC1EGFR | |
| SCHEMBL25100914 | 0.75 | DGAT1 (0.37) | RAB9AMEN1KMT2AEGFRKDM4E | |
| SCHEMBL25761819 | 0.74 | CCR1 (0.38) | CCR1CCR5CCR8RAB9ANPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3752512-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2023-03-01 | — | — | EP | disclosed |
| EP-3601304-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2021-10-27 | — | — | EP | disclosed |
| WO-2019158453-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2019-08-22 | — | — | WO | disclosed |