Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20068179 | 0.81 | HDAC8 (0.36) | — | |
| SCHEMBL24971332 | 0.81 | NPC1 (0.54) | ALDH1A1NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL14234423 | 0.79 | AKT1 (0.38) | AKT1ALDH1A1MAPK1TDP1MAPT | |
| SCHEMBL21033784 | 0.77 | AKT1 (0.39) | AKT1ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL21415659 | 0.75 | AKT1 (0.34) | AKT1SMN1; SMN2NPSR1MAPTRECQL | |
| SCHEMBL27540011 | 0.74 | AKT1 (0.48) | AKT1ALDH1A1SMN1; SMN2MAPK1TDP1 | |
| SCHEMBL18721564 | 0.74 | AKT1 (0.48) | AKT1ALDH1A1SMN1; SMN2MAPK1TDP1 | |
| SCHEMBL29815430 | 0.74 | CYP1B1 (0.50) | ALDH1A1NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL19308076 | 0.74 | GAA (0.33) | AKT1ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL14302454 | 0.73 | NPC1 (0.42) | NPC1RAB9ASMN1; SMN2TDP1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-20080294289-A1 | Preparation and Use of Alkylating Agents | THE QUEEN'S MEDICAL CENTER (US) | 2008-11-27 | — | — | US | disclosed |