Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | PTPRC | P08575 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | APAF1 | O14727 | 1/20 | 0.33 |
| ▸ | TDP2 | O95551 | 1/20 | 0.33 |
| ▸ | NSD2 | O96028 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL31376956 | 0.85 | CASP1 (0.38) | ALDH1A1RAB9ANPC1TDP1TSHR | |
| SCHEMBL12821696 | 0.85 | CASP1 (0.38) | ALDH1A1RAB9ANPC1TDP1TSHR | |
| SCHEMBL23910023 | 0.84 | MAPT (0.32) | ALDH1A1RAB9ANPC1SMN1; SMN2TDP1 | |
| SCHEMBL24690273 | 0.84 | CYP3A4 (0.41) | ALDH1A1RAB9ANPC1SMN1; SMN2TDP1 | |
| SCHEMBL2158308 | 0.84 | CYP3A4 (0.41) | ALDH1A1RAB9ANPC1SMN1; SMN2TDP1 | |
| SCHEMBL23915989 | 0.82 | PDE3B (0.31) | — | |
| SCHEMBL23916410 | 0.81 | KIF11 (0.44) | RAB9ANPC1TSHRMAPK1POLB | |
| SCHEMBL20329237 | 0.81 | MAPT (0.44) | ALDH1A1RAB9ANPC1SMN1; SMN2TDP1 | |
| SCHEMBL3574262 | 0.80 | GAA (0.58) | ALDH1A1TSHRMAPK1MEN1KMT2A | |
| SCHEMBL24416831 | 0.80 | DYRK1A (0.33) | ALDH1A1RAB9ANPC1SMN1; SMN2MEN1 |
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-2008054529-A2 | GAS GENERANT COMPOSITIONS | TK HOLDINGS, INC. (US) | 2008-05-08 | — | — | WO | disclosed |