Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.44 |
| ▸ | RAB9A | P51151 | 8/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 5/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | NAMPT | P43490 | 2/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.37 |
| ▸ | STAMBP | O95630 | 1/20 | 0.37 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3112810 | 0.87 | MLYCD (0.36) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL5246279 | 0.86 | RAB9A (0.40) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL3112218 | 0.86 | RAB9A (0.36) | NPC1RAB9ASMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL3106801 | 0.86 | HDAC4 (0.35) | NPC1RAB9ASMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL5245108 | 0.86 | NPC1 (0.37) | NPC1RAB9ASMN1; SMN2ALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL3117680 | 0.85 | MEN1 (0.37) | NPC1RAB9ASMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL5249369 | 0.85 | MLYCD (0.36) | NPC1RAB9ASMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL3104271 | 0.85 | CYP1A2 (0.38) | NPC1RAB9ASMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL3107690 | 0.85 | FOLH1 (0.33) | NPC1RAB9ASMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL5244282 | 0.85 | MLYCD (0.38) | NPC1RAB9ASMN1; SMN2ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1867331-A1 | TRIAZOLE DERIVATIVE AND THE USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2007-12-19 | — | — | EP | disclosed |