Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | MPI | P34949 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.36 |
| ▸ | NQO1 | P15559 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TTBK1 | Q5TCY1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2353891 | 0.77 | BTK (0.43) | ALDH1A1RAB9AHPGDSMN1; SMN2KDM4E | |
| SCHEMBL8752022 | 0.77 | L3MBTL1 (0.37) | ALDH1A1SMN1; SMN2KDM4EALOX15HSD17B10 | |
| SCHEMBL12889421 | 0.72 | NUDT1 (0.41) | SMN1; SMN2BTKMAPK8NQO1ADORA1 | |
| SCHEMBL9375957 | 0.70 | S1PR1 (0.36) | ALDH1A1RAB9AHPGDSMN1; SMN2KDM4E | |
| SCHEMBL2050241 | 0.69 | — | — | |
| SCHEMBL12438211 | 0.68 | HAO1 (0.42) | ALDH1A1RAB9AHPGDSMN1; SMN2KDM4E | |
| SCHEMBL2525163 | 0.68 | MAPK8 (0.56) | ALDH1A1RAB9ASMN1; SMN2BTKMAPK8 | |
| Hydrochloric Acid SCHEMBL28226759 | 0.67 | — | — | |
| SCHEMBL1642195 | 0.66 | — | — | |
| SCHEMBL16511927 | 0.64 | MAPT (0.41) | ALDH1A1RAB9AKDM4EHSD17B10BTK |
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 |
|---|---|---|---|---|---|---|---|
| US-5684011-A | Pyrimidine derivatives useful as nematicides | ZENECA LIMITED (GB) | 1997-11-04 | — | — | US | disclosed |
| EP-0660827-B1 | HETEROCYCLIC COMPOUNDS WITH PARASITICAL ACTIVITY | ZENECA LTD (GB) | 1997-04-16 | — | — | EP | disclosed |
| EP-0660827-A1 | HETEROCYCLIC COMPOUNDS WIHT PARASITICAL ACTIVITY. | ZENECA LTD (GB) | 1995-07-05 | — | — | EP | disclosed |
| WO-1994006777-A1 | HETEROCYCLIC COMPOUNDS WIHT PARASITICAL ACTIVITY | ZENECA LIMITED (GB) | 1994-03-31 | — | — | WO | disclosed |