Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL8592854 | 0.83 | CYP3A4 (0.34) | ALDH1A1CYP3A4HPGDTDP1TRPA1 | |
| SCHEMBL1019299 | 0.81 | CYP3A4 (0.56) | ALDH1A1CYP3A4HPGDTDP1TRPA1 | |
| SCHEMBL29648847 | 0.81 | CYP3A4 (0.56) | ALDH1A1CYP3A4HPGDTDP1TRPA1 | |
| SCHEMBL58461 | 0.80 | GABRA1 (0.50) | CYP3A4TDP1TRPA1TSHRGABRA1 | |
| SCHEMBL29510769 | 0.75 | CYP3A4 (0.59) | ALDH1A1CYP3A4HPGDTDP1TRPA1 | |
| SCHEMBL124245 | 0.75 | CYP3A4 (0.59) | ALDH1A1CYP3A4HPGDTDP1TRPA1 | |
| SCHEMBL9776922 | 0.70 | CYP3A4 (0.63) | ALDH1A1CYP3A4HPGDTDP1TRPA1 | |
| SCHEMBL8943270 | 0.70 | CYP3A4 (0.50) | ALDH1A1CYP3A4HPGDTDP1TRPA1 | |
| SCHEMBL23041041 | 0.70 | CYP3A4 (0.40) | ALDH1A1CYP3A4HPGDTDP1TRPA1 | |
| SCHEMBL8563749 | 0.70 | ALDH1A1 (0.41) | ALDH1A1CYP3A4HPGDTDP1TRPA1 |
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-1998008813-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PYRROLIDINE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-03-05 | — | — | WO | disclosed |