Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 4/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.31 |
| ▸ | GALR1 | P47211 | 1/20 | 0.31 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC11 | Q96DB2 | 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 | |
|---|---|---|---|---|
| SCHEMBL11121831 | 0.85 | ALDH1A1 (0.41) | ALDH1A1NPC1RAB9AESR2MAPT | |
| SCHEMBL4040088 | 0.85 | SLC18A3 (0.44) | ALDH1A1NPC1RAB9AGAAMAPT | |
| SCHEMBL7414530 | 0.85 | SLC18A3 (0.44) | ALDH1A1NPC1RAB9AGAAMAPT | |
| SCHEMBL9351603 | 0.84 | CYP3A4 (0.40) | ALDH1A1NPC1RAB9AESR2TDP1 | |
| SCHEMBL10945757 | 0.80 | ALDH1A1 (0.36) | ALDH1A1FFAR1ESR2ESR1CYP3A4 | |
| SCHEMBL24961822 | 0.76 | NPC1 (0.56) | NPC1RAB9AFFAR1NOTUMESR2 | |
| SCHEMBL2320725 | 0.74 | NPC1 (0.47) | NPC1RAB9AFFAR1NOTUMESR2 | |
| SCHEMBL9642004 | 0.73 | ALDH1A1 (0.72) | ALDH1A1CYP3A4 | |
| SCHEMBL174369 | 0.73 | ALDH1A1 (0.72) | ALDH1A1CYP3A4 | |
| SCHEMBL247292 | 0.73 | — | — |
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-114846043-A | Polyurea copolymers | 巴斯夫欧洲公司 | 2022-08-02 | — | — | CN | disclosed |