Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 6/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.39 |
| ▸ | ITGAV | P06756 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL4327966 | 0.77 | ITGB3 (0.55) | ITGB3ITGA2BITGAV | |
| SCHEMBL28926988 | 0.73 | GPR119 (0.48) | PKM | |
| Trifluoroacetic Acid SCHEMBL6450198 | 0.70 | HRH4 (0.30) | — | |
| Trifluoroacetic Acid SCHEMBL28661798 | 0.68 | HDAC1 (0.40) | HDAC1HDAC2HDAC3HDAC4HDAC7 | |
| Trifluoroacetic Acid SCHEMBL6382776 | 0.68 | TAAR1 (0.68) | HDAC1HDAC2HDAC3HDAC4HDAC7 | |
| SCHEMBL19469277 | 0.67 | PKM (0.51) | ITGB3ITGA2BNPC1PKMEPHX2 | |
| Trifluoroacetic Acid SCHEMBL6451191 | 0.66 | ITGB3 (0.31) | ITGB3ITGA2B | |
| SCHEMBL1334281 | 0.65 | ITGB3 (0.51) | ITGB3ITGA2B | |
| Trifluoroacetic Acid SCHEMBL18588029 | 0.65 | GABRP (0.36) | — | |
| Trifluoroacetic Acid SCHEMBL381669 | 0.65 | SLC18A3 (0.51) | — |
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-113620945-A | RET inhibitor, pharmaceutical composition thereof and application thereof in medicines | 广东东阳光药业有限公司 | 2021-11-09 | — | — | CN | disclosed |
| CN-113620944-A | Novel RET inhibitors, pharmaceutical compositions thereof and uses thereof | 广东东阳光药业有限公司 | 2021-11-09 | — | — | CN | disclosed |