Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | HPGD | P15428 | 4/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.51 |
| ▸ | HTT | P42858 | 6/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.49 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL7532938 | 0.99 | ALDH1A1 (0.54) | ALDH1A1HPGDLMNATDP1SMN1; SMN2 | |
| SCHEMBL7532933 | 0.99 | ALDH1A1 (0.54) | ALDH1A1HPGDLMNATDP1SMN1; SMN2 | |
| SCHEMBL7532923 | 0.99 | ALDH1A1 (0.54) | ALDH1A1HPGDLMNATDP1SMN1; SMN2 | |
| SCHEMBL7532927 | 0.85 | TDP1 (0.53) | ALDH1A1HPGDLMNATDP1SMN1; SMN2 | |
| SCHEMBL215804 | 0.81 | TDP1 (0.58) | ALDH1A1HPGDLMNATDP1SMN1; SMN2 | |
| SCHEMBL30780913 | 0.81 | TDP1 (0.58) | ALDH1A1HPGDLMNATDP1SMN1; SMN2 | |
| SCHEMBL8973475 | 0.81 | TDP1 (0.62) | ALDH1A1HPGDLMNATDP1SMN1; SMN2 | |
| SCHEMBL8964829 | 0.81 | TDP1 (0.62) | ALDH1A1HPGDLMNATDP1SMN1; SMN2 | |
| SCHEMBL2335508 | 0.80 | ALDH1A1 (0.56) | ALDH1A1HPGDLMNATDP1SMN1; SMN2 | |
| SCHEMBL922726 | 0.78 | TDP1 (0.58) | ALDH1A1HPGDLMNATDP1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002048100-A2 | THIOSULPHONIC S-ESTERS AS MATERIAL PROTECTIVE AGENT | BAYER AKTIENGESELLSCHAFT (DE) | 2002-06-20 | — | — | WO | disclosed |