Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 2/20 | 0.45 |
| ▸ | AKR1B10 | O60218 | 4/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 4/20 | 0.45 |
| ▸ | MIF | P14174 | 9/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | GLA | P06280 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | AKR1A1 | P14550 | 2/20 | 0.43 |
| ▸ | CBR1 | P16152 | 2/20 | 0.43 |
| ▸ | AKR1C4 | P17516 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18535548 | 0.85 | ESR2 (0.49) | ESR2AKR1B10AKR1B1MIFMEN1 | |
| SCHEMBL18535540 | 0.83 | ESR2 (0.45) | ESR2AKR1B10AKR1B1MIFMEN1 | |
| SCHEMBL24595591 | 0.83 | ESR2 (0.49) | ESR2AKR1B10AKR1B1MIFMEN1 | |
| SCHEMBL21761551 | 0.82 | MIF (0.61) | ESR2AKR1B10AKR1B1MIFMEN1 | |
| SCHEMBL18523587 | 0.81 | ESR2 (0.67) | ESR2AKR1B10AKR1B1MIFMEN1 | |
| SCHEMBL18583398 | 0.81 | MIF (0.49) | ESR2AKR1B10AKR1B1MIFMEN1 | |
| SCHEMBL25853393 | 0.80 | ESR2 (0.65) | ESR2AKR1B10AKR1B1MIFMEN1 | |
| SCHEMBL21761507 | 0.80 | MIF (0.61) | ESR2AKR1B10AKR1B1MIFMEN1 | |
| SCHEMBL21116061 | 0.77 | HSD17B3 (0.52) | ESR2AKR1B10AKR1B1MIFMEN1 | |
| SCHEMBL4048148 | 0.74 | HSD17B3 (0.58) | ESR2AKR1B1MIFMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3133065-A1 | COMPOUNDS FOR OPTICALLY ACTIVE DEVICES | Merck Patent GmbH (DE) | 2017-02-22 | — | — | EP | disclosed |