Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.30 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.30 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.30 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.30 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.30 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.30 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.30 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL27546633 | 0.82 | IDO1 (0.52) | ALDH1A1TDP1IDO1ACHEATM | |
| SCHEMBL7559119 | 0.80 | TAAR1 (0.41) | CA2IDO1TAAR1 | |
| SCHEMBL7033667 | 0.78 | ALDH1A1 (0.40) | ALDH1A1TSHRTDP1CA2BCHE | |
| SCHEMBL6841870 | 0.78 | GABRA1 (0.42) | ALDH1A1TSHRTDP1CA2GABRA1 | |
| SCHEMBL7143748 | 0.77 | IDO1 (0.35) | ALDH1A1TSHRTDP1CA2IDO1 | |
| SCHEMBL26073669 | 0.77 | KDM4E (0.41) | ALDH1A1IDO1ATM | |
| SCHEMBL3055366 | 0.75 | TAAR1 (0.54) | ALDH1A1TSHRTDP1CA2TAAR1 | |
| SCHEMBL125128 | 0.74 | PNMT (0.44) | ALDH1A1TSHRTDP1CA2IDO1 | |
| SCHEMBL9479489 | 0.74 | ALDH1A1 (0.44) | ALDH1A1TSHRTDP1CA2IDO1 | |
| SCHEMBL9838551 | 0.73 | ALDH1A1 (0.48) | ALDH1A1TSHRTDP1CA2IDO1 |
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-111116285-B | Efficient preparation method of 1-aryl-4-butene compound | 大连理工大学 | 2021-05-07 | — | — | CN | disclosed |
| CN-111116285-A | Efficient preparation method of 1-aryl-4-butene compound | 大连理工大学 | 2020-05-08 | — | — | CN | disclosed |