Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30814617 | 0.86 | ALDH1A1 (0.50) | ALDH1A1CNR2TSHRMAPK1NPC1 | |
| SCHEMBL14900128 | 0.83 | TSHR (0.42) | ALDH1A1CNR2TSHRMAPK1MCHR1 | |
| SCHEMBL5539526 | 0.82 | TSHR (0.53) | ALDH1A1CNR2TSHRMAPK1KDM4E | |
| SCHEMBL23019706 | 0.76 | ALDH1A1 (0.41) | ALDH1A1CNR2TSHRMAPK1NPC1 | |
| SCHEMBL23418200 | 0.72 | CARM1 (0.55) | ALDH1A1CNR2TSHRMCHR1NPC1 | |
| SCHEMBL11978894 | 0.72 | ALDH1A1 (0.47) | ALDH1A1CNR2TSHRMAPK1KDM4E | |
| SCHEMBL24910373 | 0.70 | SLC6A2 (0.44) | ALDH1A1CNR2TSHRMCHR1AOC3 | |
| SCHEMBL23418327 | 0.70 | SLC6A2 (0.44) | ALDH1A1CNR2TSHRMCHR1AOC3 | |
| SCHEMBL15011114 | 0.70 | BCHE (0.39) | ALDH1A1CNR2TSHRMAPK1BCHE | |
| SCHEMBL18536484 | 0.70 | TSHR (0.41) | ALDH1A1CNR2TSHRMAPK1MCHR1 |
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-2019016745-A1 | ALTERNATE PROCESSES FOR THE PREPARATION OF PYRROLIDINE DERIVATIVES | DR. REDDY'S LABORATORIES LIMITED (IN) | 2019-01-24 | — | — | WO | disclosed |