Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | CRHBP | P24387 | 1/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | CCR6 | P51684 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | PPIA | P62937 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1200740 | 0.85 | AKR1C3 (0.55) | AKR1C3NPSR1MAPTGAAALDH1A1 | |
| SCHEMBL1343584 | 0.84 | CYP3A4 (0.49) | CYP2C9GAAALDH1A1ESR2PPIA | |
| SCHEMBL934811 | 0.83 | AKR1C3 (0.67) | AKR1C3NPSR1CYP2C8CYP2C9MAPT | |
| SCHEMBL10697723 | 0.82 | CYP3A4 (0.47) | CYP2C9MAPTGAAALDH1A1ESR2 | |
| Bicarbonate SCHEMBL7256331 | 0.81 | ESR2 (0.55) | GAAALDH1A1ESR2CRHBPCRHR2 | |
| SCHEMBL2913778 | 0.79 | AKR1C3 (0.48) | AKR1C3NPSR1MAPTGAAALDH1A1 | |
| Benzophenone SCHEMBL17818513 | 0.79 | ALDH1A1 (0.64) | AKR1C3NPSR1MAPTGAAALDH1A1 | |
| SCHEMBL17227262 | 0.78 | MAPT (0.53) | AKR1C3NPSR1MAPTGAAALDH1A1 | |
| SCHEMBL27532725 | 0.78 | AKR1C3 (0.47) | AKR1C3NPSR1MAPTGAAALDH1A1 | |
| SCHEMBL7814170 | 0.77 | AKR1C3 (0.72) | AKR1C3CYP2C8CYP2C9MAPTGAA |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100584460-C | Catalyst for asymmetric (transfer) hydrogenation | DSM IP ASSETS BV | 2010-01-27 | — | — | CN | disclosed |
| CN-101072786-A | Chiral compound suitable as a catalyst for asymmetric transfer hydrogenation | DSM IP ASSETS BV (NL) | 2007-11-14 | — | — | CN | disclosed |
| CN-1974010-A | Catalyst for asymmetric (transfer) hydrogenation | DSM IP ASSETS BV (NL) | 2007-06-06 | — | — | CN | disclosed |
| CN-1289515-C | asymmetric (transfer) hydrogenation catalyst | DSM NV (NL) | 2006-12-13 | — | — | CN | disclosed |
| CN-1827214-A | Catalyst for asymmetric (transfer) hydrogenation | DSM IP ASSETS BV (NL) | 2006-09-06 | — | — | CN | disclosed |
| CN-1440416-A | asymmetric (transfer) hydrogenation catalyst | DSM NV (NL) | 2003-09-03 | — | — | CN | disclosed |
| EP-1227883-A1 | CATALYST FOR ASYMMETRIC TRANSFER HYDROGENATION | DSM N.V. (NL) | 2002-08-07 | — | — | EP | disclosed |
| WO-2001023088-A1 | CATALYST FOR ASYMMETRIC TRANSFER HYDROGENATION | DSM N.V. (NL) | 2001-04-05 | — | — | WO | disclosed |