Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | PMM2 | O15305 | 2/20 | 0.39 |
| ▸ | MPI | P34949 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | HSPB1 | P04792 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3839311 | 0.85 | CYP3A4 (0.56) | ALDH1A1TSHRCYP3A4PMM2MPI | |
| SCHEMBL912939 | 0.85 | ALDH1A1 (0.53) | ALDH1A1HIF1ATSHRCYP3A4HSD17B10 | |
| SCHEMBL8103505 | 0.83 | CYP3A4 (0.47) | ALDH1A1HIF1ATSHRCYP3A4LMNA | |
| SCHEMBL8702827 | 0.82 | ALDH1A1 (0.32) | ALDH1A1HIF1ATSHRCYP3A4PMM2 | |
| SCHEMBL8862330 | 0.81 | TDP1 (0.52) | ALDH1A1HIF1ATSHRPMM2MPI | |
| SCHEMBL9339650 | 0.76 | ALDH1A1 (0.49) | ALDH1A1HIF1ATSHRCYP3A4HSD17B10 | |
| SCHEMBL58424 | 0.76 | CYP3A4 (0.45) | ALDH1A1TSHRCYP3A4ACHEHSD17B10 | |
| SCHEMBL31152349 | 0.76 | CYP3A4 (0.45) | ALDH1A1TSHRCYP3A4ACHEHSD17B10 | |
| SCHEMBL11232668 | 0.75 | GPR35 (0.50) | ALDH1A1HIF1ATSHRCYP3A4HSD17B10 | |
| SCHEMBL1019385 | 0.73 | TDP1 (0.50) | ALDH1A1HIF1ACYP3A4TDP1HSPB1 |
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-1998008839-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED THIOPHENE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-03-05 | — | — | WO | disclosed |