Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 11/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30711979 | 0.80 | KMT2A (0.39) | EPHX1EPHX2ALDH1A1 | |
| SCHEMBL1053459 | 0.79 | EPHX1 (0.57) | EPHX1NPSR1MAPTKDM4EALDH1A1 | |
| SCHEMBL2802318 | 0.77 | EPHX1 (0.60) | EPHX1NPSR1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL8393517 | 0.77 | EPHX1 (0.60) | EPHX1NPSR1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL20350198 | 0.77 | EPHX1 (0.60) | EPHX1NPSR1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL17342574 | 0.76 | EPHX1 (0.59) | EPHX1NPSR1SMN1; SMN2NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL4535556 | 0.76 | EPHX1 (0.58) | EPHX1NPSR1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL14423981 | 0.76 | EPHX1 (0.63) | EPHX1NPSR1SMN1; SMN2EPHX2KDM4E | |
| SCHEMBL8396643 | 0.75 | EPHX1 (0.53) | EPHX1NPSR1MAPT | |
| SCHEMBL21363193 | 0.75 | EPHX1 (0.53) | EPHX1NPSR1SMN1; SMN2NPC1RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3755383-B1 | TRICARBONYL COMPLEXES OF TRANSITION METALS WITH BENZO-HETEROCYCLIC DERIVATIVES OF THE CYCLOPENTADIENYL ANION | NATIONAL CENTER FOR SCIENT RESEARCH DEMOKRITOS (GR) | 2021-08-18 | — | — | EP | disclosed |
| WO-2019180200-A1 | TRICARBONYL COMPLEXES OF TRANSITION METALS WITH BENZO-HETEROCYCLIC DERIVATIVES OF THE CYCLOPENTADIENYL ANION | NATIONAL CENTRE FOR SCIENTIFIC RESEARCH "DEMOKRITOS" (GR) | 2019-09-26 | — | — | WO | disclosed |