Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A2 | P43354 | 4/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | SLC26A4 | O43511 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 3/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.39 |
| ▸ | GCK | P35557 | 1/20 | 0.39 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.39 |
| ▸ | ALKBH1 | Q13686 | 1/20 | 0.38 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.38 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7216612 | 0.89 | MAOB (0.43) | NR4A2RAB9ANPC1MEN1KMT2A | |
| SCHEMBL7216335 | 0.86 | PARP10 (0.45) | RAB9ANPC1MEN1KMT2AALKBH1 | |
| SCHEMBL7217018 | 0.85 | PARP14 (0.36) | NR4A2RAB9ANPC1SLC26A4GLA | |
| SCHEMBL7215840 | 0.83 | PPARD (0.37) | KMT2ASLC26A4ALOX5 | |
| SCHEMBL7218316 | 0.83 | NR4A2 (0.47) | NR4A2RAB9ANPC1MEN1KMT2A | |
| SCHEMBL7218231 | 0.81 | MAPT (0.34) | MEN1KMT2AALOX5 | |
| SCHEMBL7216783 | 0.80 | PPARD (0.35) | MEN1KMT2ASLC26A4ALOX5 | |
| SCHEMBL7221889 | 0.80 | NR4A2 (0.48) | NR4A2RAB9ANPC1MEN1KMT2A | |
| SCHEMBL7223004 | 0.78 | SMN1; SMN2 (0.43) | NR4A2RAB9ANPC1MEN1KMT2A | |
| SCHEMBL7221400 | 0.78 | SMN1; SMN2 (0.48) | NR4A2RAB9ANPC1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-6627651-B1 | Exhibiting preventive and therapeutic effects against HIV infectious diseases wherein R1 is an optionally substituted five- or six-membered ring group; X1 is a free valency or the like; W is a divalent group and inhibitors of HIV (human | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-09-30 | — | — | US | disclosed |
| EP-1182195-A1 | CYCLIC COMPOUNDS AND USES THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2002-02-27 | — | — | EP | disclosed |