Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.47 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.44 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.44 |
| ▸ | RXRA | P19793 | 1/20 | 0.43 |
| ▸ | RXRB | P28702 | 1/20 | 0.43 |
| ▸ | RXRG | P48443 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | WDR5 | P61964 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8589741 | 0.85 | PDCD1 (0.40) | DHFRDCPSKMT2AMAOB | |
| SCHEMBL8597491 | 0.83 | FFAR1 (0.45) | NR4A2NPC1RAB9ATDP1MAOA | |
| SCHEMBL8597171 | 0.82 | KDM4E (0.46) | NR4A2NPC1RAB9AMAOBSMN1; SMN2 | |
| SCHEMBL7171902 | 0.82 | MAOB (0.49) | DHFRDCPSNR4A2NPC1RAB9A | |
| SCHEMBL8591890 | 0.82 | TP53 (0.46) | NPC1RAB9AKMT2ATDP1DRD2 | |
| SCHEMBL8592349 | 0.81 | MAOB (0.44) | NR4A2NPC1RAB9AMAOBMAPT | |
| SCHEMBL13794511 | 0.80 | RXRA (0.50) | DHFRDCPSNR4A2NPC1RAB9A | |
| SCHEMBL8592653 | 0.79 | SOD1 (0.47) | NR4A2TDP1MAOBTSHRMAPK1 | |
| SCHEMBL8592046 | 0.78 | KDM4E (0.45) | NR4A2NPC1RAB9AKMT2ATSHR | |
| SCHEMBL8594026 | 0.78 | MCL1 (0.51) | NR4A2MAOBLMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0658542-B1 | PROCESS FOR PRODUCING ALPHA-HYDROXYIMINOPHENYLACETONITRILE | SHIONOGI & CO (JP) | 1998-01-14 | — | — | EP | disclosed |
| US-5629442-A | REACTION OF NITRILE WITH ALKYL NITRITE TO FORM OXIME SUBSTITUTED PHENYLACETONITRILE | SHIONOGI & CO., LTD. | 1997-05-13 | — | — | US | disclosed |
| EP-0658542-A1 | PROCESS FOR PRODUCING $g(a)-HYDROXYIMINOPHENYLACETONITRILE | SHIONOGI & CO., LTD. (JP) | 1995-06-21 | — | — | EP | disclosed |