Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | APP | P05067 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | DRD2 | P14416 | 1/20 | 0.53 |
| ▸ | DRD3 | P35462 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL2964718 | 0.84 | IKBKB (0.57) | CYP1A2CYP2D6CYP2C9MEN1POLB | |
| SCHEMBL11277010 | 0.83 | KDM4E (0.61) | CYP1A2CYP2D6CYP2C9MEN1POLB | |
| SCHEMBL13164063 | 0.83 | NPSR1 (0.58) | CYP1A2CYP2D6CYP2C9MEN1POLB | |
| SCHEMBL21347710 | 0.83 | POLB (0.55) | CYP1A2CYP2D6CYP2C9MEN1POLB | |
| SCHEMBL11484492 | 0.82 | MEN1 (0.57) | CYP1A2CYP2D6CYP2C9MEN1POLB | |
| SCHEMBL10654577 | 0.82 | MEN1 (0.53) | CYP1A2CYP2D6CYP2C9MEN1POLB | |
| SCHEMBL24333908 | 0.81 | NPSR1 (0.56) | CYP1A2CYP2D6CYP2C9MEN1POLB | |
| SCHEMBL13164061 | 0.81 | NPSR1 (0.59) | MEN1POLBKMT2AALDH1A1NPSR1 | |
| SCHEMBL12181337 | 0.81 | BCL3 (0.66) | MEN1KMT2A | |
| SCHEMBL27985765 | 0.81 | ALDH1A1 (0.62) | CYP1A2CYP2D6CYP2C9MEN1POLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002030422-A1 | USE OF DEFINED SUBSTANCES THAT BIND TO THE SIGMA RECEPTOR FOR COMBATING SARCOMA AND CARCINOMA | MERCK PATENT GMBH (DE) | 2002-04-18 | — | — | WO | disclosed |