Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | RBP4 | P02753 | 1/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.35 |
| ▸ | SPR | P35270 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25136188 | 1.00 | ALDH1A1 (0.40) | ALDH1A1HPGDSMN1; SMN2NPC1RAB9A | |
| SCHEMBL25136297 | 1.00 | ALDH1A1 (0.40) | ALDH1A1HPGDSMN1; SMN2NPC1RAB9A | |
| SCHEMBL29182194 | 0.89 | NPC1 (0.37) | ALDH1A1HPGDSMN1; SMN2NPC1RAB9A | |
| SCHEMBL30182779 | 0.89 | NPC1 (0.37) | ALDH1A1HPGDSMN1; SMN2NPC1RAB9A | |
| SCHEMBL25136214 | 0.89 | NPC1 (0.37) | ALDH1A1HPGDSMN1; SMN2NPC1RAB9A | |
| SCHEMBL25135950 | 0.88 | RORC (0.37) | RBP4TTRCYP3A4CYP2D6IDO1 | |
| SCHEMBL30182612 | 0.88 | RORC (0.37) | RBP4TTRCYP3A4CYP2D6IDO1 | |
| SCHEMBL29182202 | 0.88 | RORC (0.37) | RBP4TTRCYP3A4CYP2D6IDO1 | |
| SCHEMBL25136199 | 0.88 | HPGDS (0.35) | ALDH1A1HPGDRBP4TTRCYP3A4 | |
| SCHEMBL29182168 | 0.88 | HPGDS (0.35) | ALDH1A1HPGDRBP4TTRCYP3A4 |
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-117813296-A | CD38 modulators and methods of use thereof | 赛特凯恩蒂克公司 | 2024-04-02 | — | — | CN | disclosed |