Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | EGLN1 | Q9GZT9 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 2/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1585094 | 0.88 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2NPC1KMT2AMEN1 | |
| SCHEMBL20881242 | 0.88 | MEN1 (0.54) | ALDH1A1SMN1; SMN2NPC1KMT2AMEN1 | |
| SCHEMBL1585229 | 0.87 | PPARG (0.56) | KMT2ALMNAPPARG | |
| SCHEMBL30573531 | 0.87 | PPARG (0.56) | KMT2ALMNAPPARG | |
| SCHEMBL557803 | 0.84 | RAB9A (0.67) | ALDH1A1SMN1; SMN2NPC1KMT2AMEN1 | |
| SCHEMBL1585808 | 0.79 | MEN1 (0.49) | ALDH1A1SMN1; SMN2NPC1KMT2AMEN1 | |
| SCHEMBL1585772 | 0.77 | PDPK1 (0.47) | ALDH1A1SMN1; SMN2NPC1RAB9ALMNA | |
| SCHEMBL2751567 | 0.76 | KMT2A (0.55) | ALDH1A1SMN1; SMN2NPC1KMT2AMEN1 | |
| SCHEMBL1585323 | 0.74 | RAB9A (0.45) | ALDH1A1SMN1; SMN2NPC1RAB9ALMNA | |
| SCHEMBL1585174 | 0.74 | POLB (0.64) | ALDH1A1SMN1; SMN2KMT2ALMNAEGLN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2485731-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS | Millennium Pharmaceuticals, Inc. (US) | 2012-08-15 | — | — | EP | disclosed |
| WO-2011044157-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS | BIOGEN IDEC MA INC. (US) | 2011-04-14 | — | — | WO | disclosed |