Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.42 |
| ▸ | NPC1 | O15118 | 6/20 | 0.42 |
| ▸ | RAB9A | P51151 | 6/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.38 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.38 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17029016 | 0.91 | KDM4E (0.45) | KDM4ESMN1; SMN2NPC1RAB9ARXFP1 | |
| SCHEMBL17029009 | 0.87 | NPC1 (0.43) | KDM4ESMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL17029025 | 0.85 | KDM4E (0.41) | KDM4ESMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL18364981 | 0.81 | KMO (0.44) | KDM4ESMN1; SMN2NPC1RAB9ARXFP1 | |
| SCHEMBL17029008 | 0.79 | KMO (0.43) | KDM4ESMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL18364982 | 0.78 | RAB9A (0.45) | KDM4ESMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL17029010 | 0.77 | NPC1 (0.41) | KDM4ESMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL17029013 | 0.76 | F2RL3 (0.40) | KDM4ESMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL17029007 | 0.74 | XPO1 (0.42) | KDM4ESMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL4952276 | 0.71 | CTSS (0.43) | KDM4ESMN1; SMN2NPC1RAB9ARXFP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3107913-B1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV HEALTHCARE UK NO 5 LTD (GB) | 2018-07-04 | — | — | EP | disclosed |