Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.38 |
| ▸ | RAB9A | P51151 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 2/20 | 0.35 |
| ▸ | PPARD | Q03181 | 2/20 | 0.35 |
| ▸ | PPARA | Q07869 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 3/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | RXRB | P28702 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7215817 | 0.94 | NPC1 (0.38) | NPC1RAB9AMAPTMEN1KMT2A | |
| SCHEMBL7218066 | 0.91 | NPC1 (0.41) | NPC1RAB9AMAPTMEN1KMT2A | |
| SCHEMBL7221445 | 0.91 | FFAR1 (0.39) | NPC1RAB9ASMN1; SMN2FFAR1RXRA | |
| SCHEMBL7218242 | 0.89 | NPC1 (0.37) | NPC1RAB9AMAPTMEN1KMT2A | |
| SCHEMBL7968606 | 0.88 | MAPT (0.36) | NPC1RAB9AMAPTKDM4EALDH1A1 | |
| SCHEMBL7222605 | 0.86 | MAOB (0.44) | FFAR1PPARDMRGPRX4 | |
| SCHEMBL7218226 | 0.86 | PARP14 (0.34) | MAPTMEN1KMT2ASMN1; SMN2L3MBTL1 | |
| SCHEMBL7216505 | 0.85 | NPC1 (0.46) | NPC1RAB9AMAPTMEN1KMT2A | |
| SCHEMBL7218076 | 0.85 | S1PR1 (0.36) | MAPTMEN1KMT2ASMN1; SMN2FFAR1 | |
| SCHEMBL7215961 | 0.84 | HRH3 (0.39) | NPC1RAB9AKMT2ASMN1; SMN2L3MBTL1 |
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 |