Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18071831 | 0.87 | LOXL2 (0.52) | LOXL2TSHRIDO1MAPTKCNJ1 | |
| SCHEMBL25334697 | 0.84 | LOXL2 (0.40) | LOXL2TSHRIDO1MAPTKCNJ1 | |
| SCHEMBL25955583 | 0.82 | TSHR (0.49) | TSHRMAPTMEN1KMT2ALMNA | |
| SCHEMBL25955584 | 0.78 | NR3C1 (0.38) | TSHRIDO1MAPTKCNH2MEN1 | |
| SCHEMBL25955568 | 0.77 | TRPA1 (0.41) | IDO1LMNA | |
| SCHEMBL20257166 | 0.76 | KCNH2 (0.50) | LOXL2MAPTKCNH2MEN1KMT2A | |
| SCHEMBL10601188 | 0.75 | LOXL2 (0.50) | LOXL2TSHRIDO1MAPTKCNJ1 | |
| SCHEMBL14010380 | 0.74 | LOXL2 (0.53) | LOXL2TSHRIDO1KCNJ1KCNH2 | |
| SCHEMBL15118477 | 0.74 | CYP19A1 (0.41) | LOXL2TSHRIDO1KCNJ1KCNH2 | |
| SCHEMBL10621456 | 0.73 | LMNA (0.50) | LOXL2TSHRIDO1MAPTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023147545-A2 | PROCESS FOR PD(II)-CATALYZED SITE-SELECTIVE BETA- AND GAMMA-C(SP3)-H ARYLATION OF PRIMARY ALDEHYDES CONTROLLED BY TRANSIENT DIRECTING GROUPS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2023-08-03 | — | — | WO | disclosed |