Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | TTR | P02766 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | FDPS | P14324 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.42 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.42 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.42 |
| ▸ | ABAT | P80404 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2559258 | 0.82 | ALDH1A1 (0.53) | ALDH1A1TSHRTTRGAAFDPS | |
| SCHEMBL2556917 | 0.81 | ALDH1A1 (0.54) | ALDH1A1TSHRTTRGAAHPGD | |
| SCHEMBL7366005 | 0.78 | ALDH1A1 (0.84) | ALDH1A1TSHRTTRGAAFDPS | |
| SCHEMBL21328335 | 0.75 | ALDH1A1 (0.85) | ALDH1A1TSHRTTRGAAFDPS | |
| SCHEMBL10650056 | 0.75 | ALDH1A1 (0.45) | ALDH1A1TSHRGAATDP1MAPT | |
| SCHEMBL2558102 | 0.74 | ALDH1A1 (0.55) | ALDH1A1TSHRTTRGAAFDPS | |
| SCHEMBL2774349 | 0.74 | ALDH1A1 (0.68) | ALDH1A1TSHRTTRFDPSHPGD | |
| SCHEMBL1869030 | 0.72 | ALDH1A1 (0.84) | ALDH1A1TSHRTTRFDPSHPGD | |
| 3,4-Dimethoxybenzaldehyde SCHEMBL5308959 | 0.72 | ALDH1A1 (1.00) | ALDH1A1TSHRTTRGAAFDPS | |
| 3,4-Dimethoxybenzaldehyde SCHEMBL25202 | 0.72 | ALDH1A1 (1.00) | ALDH1A1TSHRTTRGAAFDPS |
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-2011132051-A2 | TRICYCLE COMPOUNDS AS PHOSPHODIESTERASE-10 INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2011-10-27 | — | — | WO | disclosed |