Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.46 |
| ▸ | NPC1 | O15118 | 6/20 | 0.46 |
| ▸ | RAB9A | P51151 | 6/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.44 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | GRM4 | Q14833 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NNMT | P40261 | 1/20 | 0.42 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL27933774 | 0.88 | ALDH1A1 (0.48) | SMN1; SMN2NPC1RAB9APKMMAPT | |
| SCHEMBL15561907 | 0.87 | KDM4E (0.50) | SMN1; SMN2NPC1RAB9APKMHPGD | |
| SCHEMBL29531218 | 0.87 | — | — | |
| SCHEMBL65664 | 0.87 | — | — | |
| SCHEMBL2268679 | 0.86 | LMNA (0.44) | SMN1; SMN2NPC1RAB9APKMMAPT | |
| Formaldehyde SCHEMBL27574636 | 0.85 | KDM4E (0.44) | SMN1; SMN2NPC1RAB9APKMMAPT | |
| Formaldehyde SCHEMBL28791505 | 0.85 | KDM4E (0.44) | SMN1; SMN2NPC1RAB9APKMMAPT | |
| Bromide SCHEMBL34472696 | 0.85 | KDM4E (0.48) | SMN1; SMN2NPC1RAB9APKMHPGD | |
| Hydrochloric Acid SCHEMBL7736230 | 0.85 | KDM4E (0.48) | SMN1; SMN2NPC1RAB9APKMHPGD | |
| Hydrochloric Acid SCHEMBL10488706 | 0.85 | KDM4E (0.48) | SMN1; SMN2NPC1RAB9APKMHPGD |
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-111902419-A | Novel nucleoside or nucleotide derivatives and use thereof | ST制药株式会社 | 2020-11-06 | — | — | CN | disclosed |