Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | FDPS | P14324 | 1/20 | 0.51 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.50 |
| ▸ | TUBB | P07437 | 1/20 | 0.50 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.50 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.50 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.50 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.50 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.50 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.50 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.50 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.50 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.50 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.50 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.50 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.50 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.50 |
| ▸ | TTR | P02766 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9900714 | 0.83 | SLC6A4 (0.58) | ALDH1A1TSHRCYP2A6SMN1; SMN2HTT | |
| SCHEMBL30290019 | 0.83 | SLC6A4 (0.58) | ALDH1A1TSHRCYP2A6SMN1; SMN2HTT | |
| SCHEMBL8283115 | 0.83 | SLC6A4 (0.58) | ALDH1A1TSHRCYP2A6SMN1; SMN2HTT | |
| SCHEMBL113550 | 0.83 | SLC6A4 (0.58) | ALDH1A1TSHRCYP2A6SMN1; SMN2HTT | |
| SCHEMBL5792794 | 0.81 | LDHA (0.58) | ALDH1A1TSHRTTRSMN1; SMN2LMNA | |
| 3,4-Dimethoxybenzaldehyde SCHEMBL17888881 | 0.81 | ALDH1A1 (0.81) | ALDH1A1TSHRFDPSTUBB4ATUBB | |
| SCHEMBL20421341 | 0.81 | TUBB4A (0.60) | ALDH1A1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL20421340 | 0.81 | TUBB4A (0.60) | ALDH1A1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL2699064 | 0.78 | ALDH1A1 (0.66) | ALDH1A1TSHRFDPSMAPTSMN1; SMN2 | |
| SCHEMBL3397230 | 0.78 | PDCD1 (0.67) | ALDH1A1TSHRFDPSTUBB4ATUBB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112969774-A | Perfuming ingredients with muguet fragrance | 西姆莱斯有限公司 | 2021-06-15 | — | — | CN | disclosed |