Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.77 |
| ▸ | RAB9A | P51151 | 7/20 | 0.77 |
| ▸ | CFTR | P13569 | 1/20 | 0.76 |
| ▸ | FLT3 | P36888 | 9/20 | 0.69 |
| ▸ | HPGD | P15428 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.62 |
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.62 |
| ▸ | MAPT | P10636 | 2/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.60 |
| ▸ | TNF | P01375 | 1/20 | 0.60 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.60 |
| ▸ | ESR1 | P03372 | 1/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL8290644 | 0.89 | NPC1 (0.96) | NPC1RAB9ACFTRFLT3HPGD | |
| SCHEMBL8290776 | 0.87 | NPC1 (1.00) | NPC1RAB9ACFTRFLT3HPGD | |
| SCHEMBL3110880 | 0.86 | CFTR (1.00) | NPC1RAB9ACFTRFLT3HPGD | |
| SCHEMBL4138685 | 0.84 | MAPT (0.75) | NPC1RAB9ACFTRFLT3ALDH1A1 | |
| SCHEMBL8290832 | 0.84 | NPC1 (1.00) | NPC1RAB9ACFTRFLT3HPGD | |
| SCHEMBL8289853 | 0.83 | FLT3 (0.97) | NPC1RAB9ACFTRFLT3ALDH1A1 | |
| SCHEMBL8290663 | 0.82 | FLT3 (1.00) | NPC1RAB9ACFTRFLT3ALDH1A1 | |
| SCHEMBL8289839 | 0.82 | FLT3 (0.98) | NPC1RAB9ACFTRFLT3ALDH1A1 | |
| SCHEMBL3282296 | 0.81 | TP53 (0.71) | NPC1RAB9AHPGDALDH1A1SMN1; SMN2 | |
| SCHEMBL8288686 | 0.81 | FLT3 (1.00) | NPC1RAB9ACFTRFLT3ALDH1A1 |
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 |