Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TACR1 | P25103 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | GPR132 | Q9UNW8 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28528370 | 0.92 | NPC1 (0.53) | NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL8076100 | 0.78 | NPC1 (0.51) | NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL4114605 | 0.78 | ALDH1A1 (0.38) | NPC1RAB9AKMT2AALDH1A1SLC6A2 | |
| SCHEMBL10922628 | 0.71 | ALDH1A1 (0.46) | NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL10591841 | 0.71 | ALDH1A1 (0.50) | NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL497402 | 0.71 | ALDH1A1 (0.46) | NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL10659412 | 0.69 | ALDH1A1 (0.44) | NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL28250190 | 0.69 | POLB (0.54) | NPC1RAB9ASMN1; SMN2ALDH1A1POLB | |
| SCHEMBL5844751 | 0.69 | KMT2A (0.47) | NPC1RAB9AKMT2AALDH1A1SLC6A2 | |
| SCHEMBL28250046 | 0.69 | POLB (0.49) | NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1 |
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-108752232-B | Synthetic method of alpha-quaternary carbon amino acid | 四川大学 | 2021-03-19 | — | — | CN | disclosed |