Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | HBB | P68871 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | POLL | Q9UGP5 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19042465 | 0.85 | ALDH1A1 (0.39) | ALDH1A1MAPTHSD17B10POLBHBB | |
| SCHEMBL1266626 | 0.84 | POLB (0.51) | ALDH1A1MAPTHSD17B10TSHRKDM4E | |
| SCHEMBL19635311 | 0.82 | PTGDR2 (0.34) | MAPTTSHRKMT2ALMNAMAOB | |
| SCHEMBL5485146 | 0.81 | MEN1 (0.37) | MAPTHTR2COPRK1KMT2AELANE | |
| SCHEMBL5482888 | 0.81 | KMT2A (0.36) | MAPTKMT2ALMNAHTT | |
| SCHEMBL5480832 | 0.80 | LMNA (0.48) | ALDH1A1KDM4ELMNAHTT | |
| SCHEMBL19635324 | 0.79 | PTGDR2 (0.38) | HTR2CLMNA | |
| SCHEMBL20306474 | 0.77 | IDO1 (0.49) | ALDH1A1HSD17B10TSHRIDO1LMNA | |
| SCHEMBL19335512 | 0.75 | IDO1 (0.50) | ALDH1A1HSD17B10TSHRKMT2AIDO1 | |
| SCHEMBL13989088 | 0.75 | POLB (0.38) | ALDH1A1MAPTHSD17B10POLBHBB |
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 |
|---|---|---|---|---|---|---|---|
| EP-3458459-B1 | MACROCYCLIC INDOLE DERIVATIVES | BAYER AG (DE) | 2022-04-27 | — | — | EP | disclosed |