Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 6/20 | 0.51 |
| ▸ | MAOB | P27338 | 6/20 | 0.51 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.45 |
| ▸ | RXRA | P19793 | 3/20 | 0.43 |
| ▸ | RXRB | P28702 | 3/20 | 0.43 |
| ▸ | RXRG | P48443 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | MMP14 | P50281 | 1/20 | 0.43 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7223230 | 0.94 | MAOA (0.58) | MAOAMAOBRXRARXRBRXRG | |
| SCHEMBL7216956 | 0.89 | MAOB (0.60) | MAOAMAOBRXRARXRBRXRG | |
| SCHEMBL7222116 | 0.80 | ACHE (0.49) | MAPTKDM4E | |
| SCHEMBL7755671 | 0.79 | FAAH (0.43) | — | |
| SCHEMBL9621233 | 0.78 | NPC1 (0.46) | NPC1RAB9A | |
| SCHEMBL7218099 | 0.77 | MAOB (0.82) | MAOAMAOBGSTP1NPC1RAB9A | |
| SCHEMBL2166539 | 0.74 | NPC1 (0.44) | MAOAMAOBNPC1RAB9AMAPT | |
| SCHEMBL9621088 | 0.74 | NPC1 (0.43) | NPC1RAB9ASMPD1 | |
| SCHEMBL4875547 | 0.73 | SMN1; SMN2 (0.43) | MAOAMAOBNPC1RAB9AMAPT | |
| SCHEMBL14059398 | 0.73 | TDP1 (0.38) | MAPTKDM4EALDH1A1HPGDGAA |
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 |