Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.54 |
| ▸ | LIMK1 | P53667 | 2/20 | 0.47 |
| ▸ | IKBKB | O14920 | 1/20 | 0.47 |
| ▸ | CHUK | O15111 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 8/20 | 0.43 |
| ▸ | RAB9A | P51151 | 7/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30943923 | 0.84 | PDK1 (0.56) | PDK1CYP2C9POLBNPC1RAB9A | |
| SCHEMBL2645378 | 0.84 | PDK1 (0.56) | PDK1CYP2C9POLBNPC1RAB9A | |
| SCHEMBL24960020 | 0.79 | ALDH1A1 (0.60) | PDK1CYP2C9POLBNPC1RAB9A | |
| SCHEMBL9212502 | 0.75 | PDK1 (0.58) | PDK1POLBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL16264455 | 0.75 | CYP2C9 (0.58) | PDK1CYP2C9POLBNPC1RAB9A | |
| SCHEMBL2902912 | 0.74 | MAPT (0.54) | POLBNPC1RAB9ASMN1; SMN2PARP1 | |
| Hydrochloric Acid SCHEMBL2905808 | 0.73 | MAPT (0.53) | POLBNPC1RAB9ASMN1; SMN2PARP1 | |
| SCHEMBL369480 | 0.73 | ALDH1A1 (0.62) | PDK1POLBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL20505867 | 0.72 | DYRK1A (0.34) | LIMK1IKBKBTSHR | |
| SCHEMBL15109690 | 0.72 | LIMK1 (0.47) | LIMK1IKBKBCHUKPARP1KDM4E |
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-2074089-B1 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2013-09-18 | — | — | EP | claimed |
| WO-2006071035-A1 | NOVEL ([1,3]THIAZOLO[5,4-B]PYRIDIN-2-YL)-2-CARBOXAMIDE DERIVATIVES | LG LIFE SCIENCES, LTD. (KR) | 2006-07-06 | — | — | WO | disclosed |