Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.72 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.72 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | HTR2C | P28335 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | USP2 | O75604 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL23774080 | 0.89 | ALDH1A1 (0.64) | ALDH1A1SMN1; SMN2TSHRCYP3A4TDP1 | |
| SCHEMBL13746002 | 0.88 | ALDH1A1 (0.72) | ALDH1A1SMN1; SMN2TSHRCYP3A4HTR2C | |
| SCHEMBL20088437 | 0.86 | ALDH1A1 (0.62) | ALDH1A1SMN1; SMN2LMNAHTR2CMEN1 | |
| SCHEMBL10195738 | 0.86 | ALDH1A1 (0.66) | ALDH1A1SMN1; SMN2TSHRCYP3A4TDP1 | |
| SCHEMBL17476862 | 0.86 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2TSHRCYP3A4TDP1 | |
| SCHEMBL4037264 | 0.85 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2TSHRCYP3A4LMNA | |
| SCHEMBL172079 | 0.85 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2HTR2CMEN1KMT2A | |
| SCHEMBL526330 | 0.84 | ALDH1A1 (0.73) | ALDH1A1SMN1; SMN2TSHRHTR2CUSP2 | |
| SCHEMBL4035763 | 0.84 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2CYP3A4LMNAMEN1 | |
| SCHEMBL13745650 | 0.84 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2TSHRTDP1LMNA |
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-2009098282-A1 | LOW MOLECULAR WEIGHT 2,5-DISUBSTITUTED THIOPHENE DERIVATIVES AND USE THEREOF IN THERAPY | NOVASAID AB (SE) | 2009-08-13 | — | — | WO | disclosed |