Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 5/20 | 0.42 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | COMT | P21964 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16653434 | 0.85 | CYP3A4 (0.51) | ALDH1A1MAPTGAAKDM4ECYP1A2 | |
| SCHEMBL16660141 | 0.81 | TSHR (0.33) | ALDH1A1HPGDKDM4ECYP1A2CYP2D6 | |
| SCHEMBL7687823 | 0.80 | NPC1 (0.49) | ALDH1A1SMN1; SMN2MAPTGAAHPGD | |
| SCHEMBL19936405 | 0.79 | SMN1; SMN2 (0.54) | ALDH1A1SMN1; SMN2MAPTGAAHPGD | |
| SCHEMBL7695156 | 0.78 | SMN1; SMN2 (0.59) | ALDH1A1SMN1; SMN2MAPTGAAHPGD | |
| SCHEMBL6435841 | 0.74 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2MAPTGAAHPGD | |
| SCHEMBL18569018 | 0.72 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2D6CYP2C19CYP3A4 | |
| SCHEMBL16677137 | 0.70 | KDM4E (0.33) | ALDH1A1MAPTKDM4EKCNH3 | |
| SCHEMBL16705408 | 0.70 | SMN1; SMN2 (0.56) | ALDH1A1SMN1; SMN2MAPTGAAHPGD | |
| SCHEMBL28155818 | 0.69 | SMN1; SMN2 (0.51) | ALDH1A1SMN1; SMN2MAPTGAAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-6380187-B2 | FUNGICIDES | YU DINGWEI TIM (US) | 2002-04-30 | — | — | US | disclosed |
| US-6281217-B2 | ANTIFUNGAL ACTIVITY AGAINST A VARIETY OF FUNGI INCLUDING STRAINS WHICH HAVE PROVEN TO BE RESISTANT TO TREATMENT WITH KNOWN ANTIFUNGAL AGENTS SUCH AS FLUCONAZOLE. | YU DINGWEI TIM (US) | 2001-08-28 | — | — | US | disclosed |