Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | ATR | Q13535 | 1/20 | 0.37 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.36 |
| ▸ | METAP1 | P53582 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30937702 | 0.85 | CYP17A1 (0.40) | HSP90AA1HSP90AB1RXFP1LMNAPOLB | |
| SCHEMBL16812449 | 0.80 | ALDH1A1 (0.47) | HSP90AA1HSP90AB1RXFP1LMNAPOLB | |
| SCHEMBL7411303 | 0.79 | HSP90AA1 (0.41) | HSP90AA1HSP90AB1IDO1RXFP1MEN1 | |
| SCHEMBL15677015 | 0.79 | HSP90AA1 (0.45) | HSP90AA1HSP90AB1IDO1MEN1KMT2A | |
| SCHEMBL6004190 | 0.78 | HSP90AA1 (0.39) | HSP90AA1HSP90AB1RXFP1LCKATR | |
| SCHEMBL28738831 | 0.78 | PDK1 (0.56) | HSP90AA1HSP90AB1IDO1POLBMEN1 | |
| SCHEMBL6628806 | 0.78 | PDK1 (0.56) | HSP90AA1HSP90AB1IDO1MEN1KMT2A | |
| SCHEMBL11016442 | 0.77 | KDM4E (0.45) | LMNAPOLBKMT2ACA1CA2 | |
| SCHEMBL3787046 | 0.76 | KMT2A (0.54) | HSP90AA1HSP90AB1IDO1MEN1KMT2A | |
| SCHEMBL12225275 | 0.76 | HSP90AA1 (0.45) | HSP90AA1HSP90AB1IDO1MEN1KMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5547991-A | NMDA antagonism method | MERRELL PHARMACEUTICALS INC. (US) | 1996-08-20 | — | — | US | disclosed |
| US-5484814-A | NMDA antagonists | MERRELL DOW PHARMACEUTICALS INC. (US) | 1996-01-16 | — | — | US | disclosed |
| US-5470870-A | New class of excitatory amino acid antagonist for epilepsy, anxiety or stroke | MERRELL DOW PHARMACEUTICALS INC. (US) | 1995-11-28 | — | — | US | disclosed |
| EP-0501378-B1 | NMDA Antagonists | MERRELL DOW PHARMA (US) | 1995-01-11 | — | — | EP | disclosed |
| US-5360814-A | NMDA antagonists | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-11-01 | — | — | US | disclosed |
| EP-0501378-A1 | NMDA Antagonists | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-09-02 | — | — | EP | disclosed |