Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28180042 | 0.82 | CYP3A4 (0.47) | ALDH1A1MAPTKDM4ELMNAALOX15 | |
| SCHEMBL9037566 | 0.80 | ALDH1A1 (0.39) | ALDH1A1MAPTTSHRCES2CES1 | |
| SCHEMBL21767229 | 0.80 | OGG1 (0.48) | MAPTKDM4ELMNANPC1RAB9A | |
| SCHEMBL28177790 | 0.80 | KDM4E (0.44) | ALDH1A1MAPTKDM4ELMNARAB9A | |
| SCHEMBL6206534 | 0.79 | NPSR1 (0.48) | ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL27842747 | 0.78 | TSHR (0.46) | ALDH1A1MAPTALOX15NPC1SMN1; SMN2 | |
| SCHEMBL4385002 | 0.78 | ALDH1A1 (0.47) | ALDH1A1MAPTKDM4EL3MBTL1LMNA | |
| SCHEMBL22251861 | 0.77 | IDO1 (0.43) | ALDH1A1MAPTKDM4ELMNARAB9A | |
| SCHEMBL27467210 | 0.77 | ALDH1A1 (0.45) | ALDH1A1MAPTKDM4EL3MBTL1NPC1 | |
| SCHEMBL27892920 | 0.77 | NPC1 (0.40) | ALDH1A1MAPTLMNANPC1RAB9A |
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-106232581-A | Non-platinum based anti-cancer compounds for targeted chemotherapy | 卢庆彬 | 2016-12-14 | — | — | CN | disclosed |