Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRB | P28702 | 4/20 | 0.57 |
| ▸ | RXRA | P19793 | 3/20 | 0.57 |
| ▸ | RXRG | P48443 | 3/20 | 0.57 |
| ▸ | NPC1 | O15118 | 3/20 | 0.57 |
| ▸ | RAB9A | P51151 | 3/20 | 0.57 |
| ▸ | MAOB | P27338 | 5/20 | 0.55 |
| ▸ | MAOA | P21397 | 4/20 | 0.55 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | GFER | P55789 | 1/20 | 0.48 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.48 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.48 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.47 |
| ▸ | HPD | P32754 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7216359 | 0.90 | NPC1 (0.56) | RXRBRXRARXRGNPC1RAB9A | |
| SCHEMBL7222242 | 0.89 | MAOB (0.57) | RXRBRXRARXRGNPC1RAB9A | |
| SCHEMBL7222385 | 0.88 | NPC1 (0.55) | RXRBRXRARXRGNPC1RAB9A | |
| SCHEMBL7222036 | 0.88 | NPC1 (0.55) | RXRBRXRARXRGNPC1RAB9A | |
| SCHEMBL7222742 | 0.87 | MAOB (0.52) | RXRBRXRARXRGNPC1RAB9A | |
| SCHEMBL7215895 | 0.85 | MAOB (0.49) | RXRBRXRARXRGNPC1RAB9A | |
| SCHEMBL7216468 | 0.84 | RXRB (0.47) | RXRBRXRARXRGNPC1RAB9A | |
| SCHEMBL7216413 | 0.84 | NPC1 (0.46) | RXRBRXRARXRGNPC1RAB9A | |
| SCHEMBL7222844 | 0.79 | MAPT (0.53) | RXRBRXRARXRGNPC1RAB9A | |
| SCHEMBL7218045 | 0.78 | MAOB (0.55) | RXRBRXRARXRGNPC1RAB9A |
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 |