Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.39 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CCR6 | P51684 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.38 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28529036 | 0.88 | DDB1 (0.44) | TSHRKMT2AMEN1ALDH1A1RAB9A | |
| SCHEMBL28533037 | 0.79 | CCR6 (0.33) | TSHRKMT2AMEN1SMN1; SMN2ALDH1A1 | |
| SCHEMBL18789282 | 0.73 | ATM (0.41) | KMT2AMEN1SMN1; SMN2MAPTOPRM1 | |
| SCHEMBL1569293 | 0.72 | TSHR (0.80) | TSHRKMT2AMEN1SMN1; SMN2ALDH1A1 | |
| SCHEMBL29535471 | 0.72 | TSHR (0.80) | TSHRKMT2AMEN1SMN1; SMN2ALDH1A1 | |
| SCHEMBL27501881 | 0.70 | TSHR (0.77) | TSHRKMT2AMEN1SMN1; SMN2ALDH1A1 | |
| SCHEMBL3536978 | 0.70 | OPRM1 (0.69) | OPRM1KCNA3OPRD1OPRK1SLC22A1 | |
| SCHEMBL12362140 | 0.69 | MEN1 (0.35) | KMT2AMEN1SMN1; SMN2ALDH1A1GAA | |
| SCHEMBL19766 | 0.69 | POLB (0.42) | TSHRKMT2AMEN1SMN1; SMN2MAPT | |
| SCHEMBL15967719 | 0.68 | DDB1 (0.50) | KMT2AALDH1A1RAB9ANPC1 |
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-109153700-B | C-3 and C-17 modified triterpenoids as HIV-1 inhibitors | VIIV保健英国第五有限公司 | 2021-03-09 | — | — | CN | disclosed |