Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 7/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 6/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | NTMT1 | Q9BV86 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 2/20 | 0.38 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.37 |
| ▸ | CCR3 | P51677 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13680523 | 0.77 | RAB9A (0.51) | RAB9APOLBNPC1SMN1; SMN2MEN1 | |
| SCHEMBL13680522 | 0.76 | RAB9A (0.55) | RAB9APOLBNPC1SMN1; SMN2MEN1 | |
| SCHEMBL13680537 | 0.73 | KIF11 (0.54) | RAB9APOLBNPC1SMN1; SMN2MEN1 | |
| SCHEMBL13680489 | 0.72 | SMN1; SMN2 (0.47) | RAB9APOLBNPC1SMN1; SMN2MEN1 | |
| SCHEMBL13680476 | 0.71 | TSHR (0.47) | RAB9APOLBNPC1SMN1; SMN2MEN1 | |
| SCHEMBL31668983 | 0.70 | CHRM1 (0.46) | — | |
| SCHEMBL21873434 | 0.70 | CHRM1 (0.46) | — | |
| SCHEMBL21873623 | 0.69 | CHRM1 (0.48) | — | |
| SCHEMBL30428222 | 0.69 | CHRM1 (0.48) | — | |
| SCHEMBL23657507 | 0.68 | NPC1 (0.56) | RAB9APOLBNPC1SMN1; SMN2MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115286592-A | GLUT1 inhibitor, virtual screening method and application | 武汉工程大学 | 2022-11-04 | — | — | CN | claimed |
| CN-115286592-A | GLUT1 inhibitor, virtual screening method and application | 武汉工程大学 | 2022-11-04 | — | — | CN | disclosed |