Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 9/20 | 0.57 |
| ▸ | NPC1 | O15118 | 8/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.57 |
| ▸ | TP53 | P04637 | 3/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4763336 | 1.00 | RAB9A (0.57) | RAB9ANPC1SMN1; SMN2TP53TSHR | |
| SCHEMBL30123147 | 0.79 | PDE10A (0.64) | CYP1A2 | |
| SCHEMBL3270025 | 0.79 | PDE10A (0.64) | CYP1A2 | |
| SCHEMBL3270047 | 0.79 | F2 (0.47) | RAB9ANPC1SMN1; SMN2TP53KMT2A | |
| SCHEMBL2241896 | 0.75 | RAB9A (1.00) | RAB9ANPC1SMN1; SMN2TP53TSHR | |
| SCHEMBL15552182 | 0.73 | NPC1 (0.73) | RAB9ANPC1SMN1; SMN2TP53TSHR | |
| SCHEMBL16938652 | 0.72 | NPC1 (0.71) | RAB9ANPC1SMN1; SMN2TP53TSHR | |
| SCHEMBL2248644 | 0.70 | NPC1 (1.00) | RAB9ANPC1SMN1; SMN2TP53TSHR | |
| SCHEMBL2245506 | 0.70 | RAB9A (1.00) | RAB9ANPC1SMN1; SMN2TP53TSHR | |
| SCHEMBL30354865 | 0.70 | NPC1 (0.77) | RAB9ANPC1SMN1; SMN2TP53TSHR |
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-115484938-A | Composition and use thereof | 博善人工智能剑桥有限公司 | 2022-12-16 | — | — | CN | disclosed |