Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | CA4 | P22748 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.30 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.30 |
| ▸ | MMP3 | P08254 | 1/20 | 0.30 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Ethane SCHEMBL4318566 | 1.00 | TSHR (0.37) | TSHRTDP1CA4ACHECA1 | |
| Ethane SCHEMBL28807723 | 0.97 | TSHR (0.39) | TSHRTDP1CA4ACHECA1 | |
| Ethane SCHEMBL2219423 | 0.97 | TSHR (0.39) | TSHRTDP1CA4ACHECA1 | |
| Ethane SCHEMBL372202 | 0.97 | TSHR (0.39) | TSHRTDP1CA4ACHECA1 | |
| Ethane SCHEMBL27485242 | 0.93 | TSHR (0.37) | TSHRTDP1CA4ACHECA1 | |
| Ethane SCHEMBL27367403 | 0.93 | TSHR (0.37) | TSHRTDP1CA4ACHECA1 | |
| SCHEMBL11600 | 0.93 | TDP1 (0.41) | TSHRTDP1CA4ACHECA1 | |
| SCHEMBL4696303 | 0.93 | TDP1 (0.41) | TSHRTDP1CA4ACHECA1 | |
| SCHEMBL3158336 | 0.93 | TDP1 (0.41) | TSHRTDP1CA4ACHECA1 | |
| Ethane SCHEMBL9064310 | 0.90 | TDP1 (0.35) | TSHRTDP1CA4ACHECA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108752174-A | A kind of process for catalytic synthesis of acetylenic ketone compounds | 陈丹红 | 2018-11-06 | — | — | CN | claimed |
| CN-108752174-A | A kind of process for catalytic synthesis of acetylenic ketone compounds | 陈丹红 | 2018-11-06 | — | — | CN | disclosed |
| CN-105130769-B | Catalytic synthesis method of alkynone compound | 盐城格瑞茵化工有限公司 | 2018-07-06 | — | — | CN | disclosed |