Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ERN1 | O75460 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL24182447 | 0.78 | TDP1 (0.52) | TDP1ERN1MEN1KMT2APTGDR | |
| SCHEMBL17494906 | 0.78 | TSHR (0.41) | GAATSHRMEN1KMT2APTGDR | |
| SCHEMBL14995390 | 0.77 | TDP1 (0.43) | TDP1ERN1MEN1KMT2AHPGD | |
| SCHEMBL2523798 | 0.74 | GAA (0.55) | TDP1GAATSHRERN1MEN1 | |
| SCHEMBL27224135 | 0.74 | TSHR (0.41) | GAATSHRMEN1KMT2APTGDR | |
| Hydrochloric Acid SCHEMBL27232296 | 0.73 | TSHR (0.40) | GAATSHRMEN1KMT2APTGDR | |
| SCHEMBL3607515 | 0.72 | TDP1 (0.57) | TDP1TSHRERN1MEN1KMT2A | |
| SCHEMBL27651048 | 0.72 | TDP1 (0.57) | TDP1ERN1MEN1KMT2AHPGD | |
| SCHEMBL15653272 | 0.72 | TDP1 (0.57) | TDP1ERN1MEN1KMT2AHPGD | |
| SCHEMBL27223582 | 0.72 | GAA (0.36) | GAATSHRMEN1KMT2APTGDR |
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-2016025932-A1 | SUBSTITUTED POLYCYCLIC ANTIBACTERIAL COMPOUNDS | PTC THERAPEUTICS, INC. (US) | 2016-02-18 | — | — | WO | disclosed |