Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 4/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HK1 | P19367 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14930829 | 0.84 | NPC1 (0.40) | NISCHTDP1ACHEMAOBALDH1A1 | |
| SCHEMBL5021701 | 0.76 | NPC1 (0.44) | NISCHTDP1ACHEMAOBALDH1A1 | |
| SCHEMBL19072298 | 0.72 | NPC1 (0.42) | MAOBALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL24233984 | 0.72 | CHRNB4 (0.64) | NISCHALDH1A1MAPTCYP1A2CYP2C19 | |
| SCHEMBL197731 | 0.71 | ACHE (0.73) | TDP1ACHEALDH1A1TSHRHPGD | |
| SCHEMBL18661495 | 0.71 | ACHE (0.73) | TDP1ACHEALDH1A1TSHRHPGD | |
| SCHEMBL3287696 | 0.71 | ACHE (0.73) | TDP1ACHEALDH1A1TSHRHPGD | |
| SCHEMBL14016423 | 0.70 | NPC1 (0.41) | NISCHTDP1ACHEMAOBALDH1A1 | |
| SCHEMBL21794467 | 0.69 | RAB9A (0.47) | NISCHTDP1ACHEMAOBALDH1A1 | |
| SCHEMBL13530918 | 0.69 | MAOB (0.36) | NISCHTDP1ACHEMAOBALDH1A1 |
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-105130915-B | A kind of method for preparing amino substituted triazole derivative | 浙江大学 | 2017-07-21 | — | — | CN | disclosed |
| CN-105130915-A | Method of preparing amido-substituted triazole derivative | UNIV ZHEJIANG | 2015-12-09 | — | — | CN | disclosed |