Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP10 | Q53GL7 | 9/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | PARP15 | Q460N3 | 8/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.40 |
| ▸ | RXRG | P48443 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7216065 | 0.87 | PARP10 (0.47) | PARP10MAOAMAOBPARP15ALOX5 | |
| SCHEMBL7222211 | 0.81 | MAOB (0.44) | PARP10MAOAMAOBKDM4EFFAR1 | |
| SCHEMBL7216359 | 0.78 | NPC1 (0.56) | MAOAMAOBALOX5KDM4ENPC1 | |
| SCHEMBL7218008 | 0.76 | RXRB (0.57) | MAOAMAOBNPC1RXRARXRB | |
| SCHEMBL7222242 | 0.75 | MAOB (0.57) | PARP10MAOAMAOBNPC1RXRA | |
| SCHEMBL18616171 | 0.74 | HRH3 (0.56) | PARP10MAOAMAOBPARP15KDM4E | |
| SCHEMBL7222036 | 0.74 | NPC1 (0.55) | MAOAMAOBNPC1RXRARXRB | |
| SCHEMBL7216413 | 0.74 | NPC1 (0.46) | MAOAMAOBKDM4ENPC1RXRA | |
| SCHEMBL7222385 | 0.74 | NPC1 (0.55) | MAOAMAOBKDM4EFFAR1NPC1 | |
| SCHEMBL7216531 | 0.74 | HRH3 (0.41) | MAOB |
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 |