Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.41 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | MPO | P05164 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7773063 | 0.82 | ALDH1A1 (0.43) | ALDH1A1NPC1LMNATP53POLB | |
| SCHEMBL2678910 | 0.80 | LOXL2 (0.47) | ALDH1A1NPC1LMNATP53POLB | |
| SCHEMBL15561990 | 0.80 | ALDH1A1 (0.45) | ALDH1A1NPC1LMNATP53POLB | |
| SCHEMBL14107962 | 0.80 | CYP2A6 (0.47) | ALDH1A1NPC1LMNATP53POLB | |
| SCHEMBL533946 | 0.80 | ALDH1A1 (0.42) | ALDH1A1NPC1LMNATP53POLB | |
| Hydrochloric Acid SCHEMBL6490072 | 0.78 | LOXL2 (0.45) | ALDH1A1NPC1LMNATP53POLB | |
| SCHEMBL27650184 | 0.77 | P2RX7 (0.41) | ALDH1A1NPC1LMNATP53POLB | |
| SCHEMBL4030840 | 0.77 | KCNH2 (0.58) | ALDH1A1NPC1LMNATP53POLB | |
| SCHEMBL10070278 | 0.76 | FFAR1 (0.42) | MPOCYP19A1NR3C1PGRNR3C2 | |
| SCHEMBL13873028 | 0.76 | NPC1 (0.41) | ALDH1A1NPC1LMNATP53POLB |
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-7951827-B2 | Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2011-05-31 | — | — | US | disclosed |
| EP-1458684-B1 | THERAPEUTIC HETEROCYCLES AS BRADYKININ B2 RECEPTOR ANTAGONISTS | ASTRAZENECA AB (SE) | 2008-01-16 | — | — | EP | disclosed |