Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 4/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 5/20 | 0.33 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.32 |
| ▸ | CPB1 | P15086 | 2/20 | 0.32 |
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.30 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.30 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.30 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.30 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9257352 | 0.86 | PDK1 (0.36) | PDK1LOXL2ACACBCPB1CPB2 | |
| SCHEMBL9568440 | 0.85 | ITGB3 (0.39) | PDK1MAP4K4 | |
| SCHEMBL9568572 | 0.83 | PDK1 (0.39) | PDK1CPB1CPB2 | |
| Hydrochloric Acid SCHEMBL9255416 | 0.82 | PDK1 (0.39) | PDK1CPB1CPB2 | |
| SCHEMBL9247446 | 0.81 | PDK1 (0.35) | PDK1ACACBCPB1CPB2 | |
| SCHEMBL9251800 | 0.80 | PDK1 (0.36) | PDK1FFAR1ACACBNPC1RAB9A | |
| SCHEMBL9253978 | 0.79 | ITGB3 (0.37) | PDK1MAP4K4 | |
| SCHEMBL9254123 | 0.77 | CPB1 (0.37) | PDK1LOXL2ACACBCPB1CPB2 | |
| SCHEMBL9246913 | 0.76 | GCG (0.38) | PDK1NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL8863938 | 0.73 | TMPRSS15 (0.36) | PDK1MAP4K4NPC1RAB9ASMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5463071-A | Tetrazole derivatives; useful for inhibiting undesirable cell aggregation | DR. KARL THOMAE GMBH (DE) | 1995-10-31 | — | — | US | disclosed |
| EP-0525629-A2 | 5-membered heterocycles, process for their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1993-02-03 | — | — | EP | disclosed |