Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.55 |
| ▸ | RAB9A | P51151 | 9/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.55 |
| ▸ | TP53 | P04637 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL30648520 | 1.00 | NPC1 (0.55) | NPC1RAB9ASMN1; SMN2TP53TSHR | |
| SCHEMBL13572958 | 0.84 | DDAH1 (0.62) | NPC1RAB9ASMN1; SMN2TP53TSHR | |
| SCHEMBL711629 | 0.84 | NPC1 (0.69) | NPC1RAB9ASMN1; SMN2TP53TSHR | |
| SCHEMBL19540730 | 0.81 | NPC1 (0.58) | NPC1RAB9ASMN1; SMN2TP53TSHR | |
| SCHEMBL5864365 | 0.81 | NPC1 (0.58) | NPC1RAB9ASMN1; SMN2TP53TSHR | |
| SCHEMBL7836911 | 0.81 | NPC1 (0.35) | NPC1RAB9ASMN1; SMN2TP53TSHR | |
| SCHEMBL8278820 | 0.81 | DDAH1 (0.66) | NPC1RAB9ASMN1; SMN2TP53TSHR | |
| Hydrochloric Acid SCHEMBL710312 | 0.80 | NPC1 (0.65) | NPC1RAB9ASMN1; SMN2TP53TSHR | |
| Hydrochloric Acid SCHEMBL710311 | 0.80 | NPC1 (0.65) | NPC1RAB9ASMN1; SMN2TP53TSHR | |
| SCHEMBL31555757 | 0.78 | CYP2C9 (0.46) | NPC1RAB9ASMN1; SMN2TP53KMT2A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2601192-A1 | FUSED HETEROCYCLIC COMPOUNDS | Takeda Pharmaceutical Company Limited (JP) | 2013-06-12 | — | — | EP | disclosed |
| WO-2012018909-A1 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-02-09 | — | — | WO | disclosed |
| EP-1007514-B1 | HETEROCYCLIC KETONES AS NPY Y5 ANTAGONISTS | BAYER CORP (US) | 2006-11-15 | — | — | EP | disclosed |
| EP-1441725-A1 | BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS | Aventis Pharmaceuticals Inc. (US) | 2004-08-04 | — | — | EP | disclosed |
| EP-1317445-A2 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC. (CA) | 2003-06-11 | — | — | EP | disclosed |
| WO-2003035065-A1 | BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS | AVENTIS PHARMACEUTICALS INC (US) | 2003-05-01 | — | — | WO | disclosed |
| WO-2002022600-A2 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC. (CA) | 2002-03-21 | — | — | WO | disclosed |
| EP-1007514-A1 | HETEROCYCLIC KETONES AS NPY Y5 ANTAGONISTS | Bayer Corporation (US) | 2000-06-14 | — | — | EP | disclosed |
| WO-1999010330-A1 | HETEROCYCLIC KETONES AS NPY Y5 ANTAGONISTS | BAYER CORPORATION (US) | 1999-03-04 | — | — | WO | disclosed |