Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 11/20 | 0.55 |
| ▸ | NPC1 | O15118 | 4/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.50 |
| ▸ | GAPDH | P04406 | 2/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL18535454 | 0.82 | MIF (0.57) | MIFNPC1ESR2PTGS1ERAP1 | |
| SCHEMBL18535545 | 0.80 | NPC1 (0.47) | MIFNPC1GAPDHATMMEN1 | |
| SCHEMBL24595667 | 0.76 | NPC1 (0.40) | MIFNPC1GAPDHMEN1KMT2A | |
| SCHEMBL21524283 | 0.76 | NPC1 (0.43) | MIFNPC1GAPDHMEN1KMT2A | |
| SCHEMBL980362 | 0.76 | MIF (0.80) | MIFNPC1ESR2GAPDHPTGS1 | |
| SCHEMBL592464 | 0.74 | HSD17B3 (0.49) | MIFNPC1ESR2PTGS1MEN1 | |
| SCHEMBL18523587 | 0.74 | ESR2 (0.67) | MIFNPC1ESR2GAPDHPTGS1 | |
| SCHEMBL25853393 | 0.73 | ESR2 (0.65) | MIFNPC1ESR2PTGS1ERAP1 | |
| SCHEMBL23713470 | 0.72 | MIF (0.68) | MIFNPC1ESR2PTGS1ERAP1 | |
| SCHEMBL591688 | 0.72 | MIF (1.00) | MIFNPC1ESR2GAPDHPTGS1 |
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-3502147-A1 | COMPOSITION FOR OPHTHALMOLOGICAL PRODUCTS | Merck Patent GmbH (DE) | 2019-06-26 | — | — | EP | disclosed |
| EP-3133065-A1 | COMPOUNDS FOR OPTICALLY ACTIVE DEVICES | Merck Patent GmbH (DE) | 2017-02-22 | — | — | EP | disclosed |