Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALPL | P05186 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MPI | P34949 | 1/20 | 0.48 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | COMT | P21964 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.45 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.44 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1136720 | 0.82 | ALDH1A1 (0.55) | ALPLNPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL4036970 | 0.82 | ALDH1A1 (0.47) | NPC1RAB9AALDH1A1KDM4EMPI | |
| SCHEMBL11581317 | 0.77 | NR1H2 (0.62) | ALPLNPC1RAB9A | |
| SCHEMBL5731861 | 0.74 | LTA4H (0.50) | ALDH1A1KDM4EMPIAPOBEC3GMAPT | |
| SCHEMBL4027604 | 0.73 | CTSB (0.55) | NPC1RAB9AALDH1A1KDM4EMAPT | |
| SCHEMBL5915188 | 0.72 | NPC1 (0.47) | NPC1RAB9AMAPTCYP2D6 | |
| SCHEMBL10905429 | 0.71 | LTA4H (0.47) | ALDH1A1KDM4EMPIAPOBEC3GMAPT | |
| SCHEMBL15542867 | 0.71 | MAPT (0.68) | MAPTLTA4H | |
| SCHEMBL6150323 | 0.71 | LTA4H (0.47) | ALPLALDH1A1KDM4EMPIAPOBEC3G | |
| SCHEMBL27884 | 0.71 | LTA4H (0.81) | ALDH1A1LTA4HCYP2D6ATM |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105051026-A | Antiviral compounds | HOFFMANN LA ROCHE | 2015-11-11 | — | — | CN | disclosed |