Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 2/20 | 0.39 |
| ▸ | BCR | P11274 | 2/20 | 0.39 |
| ▸ | FLT1 | P17948 | 1/20 | 0.38 |
| ▸ | FLT4 | P35916 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1758388 | 1.00 | AKR1C3 (0.42) | AKR1C3ALDH1A1HTTAKR1C2AKR1C1 | |
| SCHEMBL1758384 | 1.00 | AKR1C3 (0.42) | AKR1C3ALDH1A1HTTAKR1C2AKR1C1 | |
| SCHEMBL2844597 | 0.82 | MEN1 (0.49) | AKR1C3ALDH1A1AKR1C1MEN1KMT2A | |
| SCHEMBL3778274 | 0.82 | MEN1 (0.49) | AKR1C3ALDH1A1AKR1C1MEN1KMT2A | |
| SCHEMBL1758234 | 0.79 | HTT (0.43) | AKR1C3ALDH1A1HTTAKR1C2AKR1C1 | |
| SCHEMBL1758233 | 0.79 | HTT (0.43) | AKR1C3ALDH1A1HTTAKR1C2AKR1C1 | |
| SCHEMBL5125335 | 0.79 | HTT (0.43) | AKR1C3ALDH1A1HTTAKR1C2AKR1C1 | |
| SCHEMBL11224609 | 0.71 | MAOB (0.59) | ALDH1A1AKR1C1MEN1KMT2A | |
| SCHEMBL11224613 | 0.71 | MAOB (0.59) | ALDH1A1AKR1C1MEN1KMT2A | |
| SCHEMBL11224607 | 0.71 | MAOB (0.59) | ALDH1A1AKR1C1MEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2019675-A1 | METHODS FOR TREATING OR PREVENTING NEOPLASIAS | Merck Frosst Canada Ltd. (CA) | 2009-02-04 | — | — | EP | disclosed |
| EP-1954653-A2 | METHOD OF GENERATING AMORPHOUS SOLID FOR WATER-INSOLUBLE PHARMACEUTICALS | Merck & Co., Inc. (US) | 2008-08-13 | — | — | EP | disclosed |
| WO-2007124589-A1 | METHODS FOR TREATING OR PREVENTING NEOPLASIAS | MERCK FROSST CANADA LTD. (CA) | 2007-11-08 | — | — | WO | disclosed |
| WO-2007061849-A2 | METHOD OF GENERATING AMORPHOUS SOLID FOR WATER-INSOLUBLE PHARMACEUTICALS | MERCK & CO., INC. (US) | 2007-05-31 | — | — | WO | disclosed |