Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | MAPT | P10636 | 5/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | GALR2 | O43603 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MPI | P34949 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CCR6 | P51684 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | CTSB | P07858 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1359969 | 0.81 | ALDH1A1 (0.35) | ALDH1A1MAPTNPSR1GALR2HPGD | |
| SCHEMBL1359386 | 0.73 | ALDH1A1 (0.43) | ALDH1A1MAPTNPSR1GALR2HPGD | |
| SCHEMBL13788446 | 0.72 | MAPT (0.42) | ALDH1A1MAPTNPSR1GALR2HPGD | |
| SCHEMBL14538487 | 0.66 | MAPT (0.35) | ALDH1A1MAPTNPSR1HTTCYP3A4 | |
| SCHEMBL2952734 | 0.64 | MAPT (0.45) | ALDH1A1MAPTHPGDHTTSMN1; SMN2 | |
| SCHEMBL2910153 | 0.63 | MAPT (0.39) | ALDH1A1MAPTNPSR1GALR2HPGD | |
| SCHEMBL17446826 | 0.62 | ATM (0.49) | ALDH1A1MAPTHTTSMN1; SMN2CYP3A4 | |
| SCHEMBL3834788 | 0.59 | ALDH1A1 (0.57) | ALDH1A1MAPTNPSR1GALR2HPGD | |
| SCHEMBL24553865 | 0.59 | NOS3 (0.42) | — | |
| SCHEMBL11900126 | 0.58 | ALDH1A1 (0.41) | ALDH1A1MAPTNPSR1CYP3A4LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-7582641-B2 | Gyrase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-09-01 | — | — | US | disclosed |