Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.70 |
| ▸ | RAB9A | P51151 | 8/20 | 0.70 |
| ▸ | FLT3 | P36888 | 2/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.64 |
| ▸ | HPGD | P15428 | 3/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | MAPT | P10636 | 5/20 | 0.61 |
| ▸ | GAA | P10253 | 2/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | POLB | P06746 | 1/20 | 0.61 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | CASP3 | P42574 | 2/20 | 0.57 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.52 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL13799001 | 0.87 | NPC1 (0.60) | NPC1RAB9AALDH1A1HPGDMAPT | |
| SCHEMBL7676531 | 0.81 | MAPK8 (0.63) | NPC1RAB9AALDH1A1HPGDKDM4E | |
| SCHEMBL7003572 | 0.79 | MAPT (0.80) | NPC1RAB9AALDH1A1HPGDKDM4E | |
| SCHEMBL7669932 | 0.79 | MAPT (0.80) | NPC1RAB9AALDH1A1HPGDKDM4E | |
| SCHEMBL22789369 | 0.79 | FLT3 (1.00) | NPC1RAB9AFLT3ALDH1A1HPGD | |
| SCHEMBL7004549 | 0.78 | FLT3 (0.68) | NPC1RAB9AFLT3ALDH1A1HPGD | |
| SCHEMBL7002672 | 0.77 | FLT3 (1.00) | NPC1RAB9AFLT3ALDH1A1HPGD | |
| SCHEMBL7902809 | 0.75 | GRIN2C (1.00) | NPC1RAB9AFLT3ALDH1A1HPGD | |
| SCHEMBL7003132 | 0.75 | ALDH1A1 (0.64) | NPC1RAB9AFLT3ALDH1A1HPGD | |
| SCHEMBL5245843 | 0.74 | MAPT (0.54) | NPC1RAB9AFLT3ALDH1A1HPGD |
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-2005033102-A2 | THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF | AMPHORA DISCOVERY CORPORATION (US) | 2005-04-14 | — | — | WO | disclosed |