Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL19063495 | 1.00 | TSHR (0.51) | TSHRCYP3A4CASP3SENP8SENP7 | |
| SCHEMBL4460747 | 0.84 | TSHR (0.45) | TSHRCYP3A4ALDH1A1 | |
| SCHEMBL12984706 | 0.84 | TSHR (0.46) | TSHRCYP3A4CASP3SENP8SENP7 | |
| SCHEMBL19622953 | 0.83 | CASP3 (0.53) | TSHRCYP3A4CASP3SENP8SENP7 | |
| SCHEMBL28923654 | 0.83 | HSD17B10 (0.46) | TSHRCYP3A4CASP3SENP8SENP7 | |
| SCHEMBL28623382 | 0.81 | ATM (0.46) | CYP3A4CASP3SENP8SENP7SENP6 | |
| SCHEMBL29669613 | 0.81 | VCAM1 (0.59) | TSHRCYP3A4CASP3SENP8SENP7 | |
| SCHEMBL28487454 | 0.81 | CA12 (0.50) | TSHRCYP3A4CASP3SENP8SENP7 | |
| SCHEMBL3421225 | 0.81 | CASP3 (0.44) | TSHRCYP3A4CASP3SENP8SENP7 | |
| SCHEMBL28641030 | 0.81 | RAB9A (0.49) | NPC1RAB9AALDH1A1CA12CA2 |
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-113429424-B | Preparation method of [1,2,4] oxadiazino indoline-3-ketone derivative | 华侨大学 | 2022-06-07 | — | — | CN | claimed |
| CN-113429424-B | Preparation method of [1,2,4] oxadiazino indoline-3-ketone derivative | 华侨大学 | 2022-06-07 | — | — | CN | disclosed |