Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | KMO | O15229 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | SENP8 | Q96LD8 | 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 | |
|---|---|---|---|---|
| SCHEMBL32674482 | 0.77 | MIF (0.51) | ALDH1A1TP53LMNAHTTKMT2A | |
| SCHEMBL19512778 | 0.76 | CYP2A6 (0.45) | ALDH1A1DDB1CRBNLMNAPKM | |
| SCHEMBL19475615 | 0.75 | DDB1 (0.43) | ALDH1A1DDB1CRBNLMNAPKM | |
| SCHEMBL32674512 | 0.74 | DDB1 (0.42) | DDB1CRBN | |
| Cyanide SCHEMBL25405838 | 0.69 | DDB1 (0.38) | ALDH1A1DDB1CRBNLMNAPKM | |
| SCHEMBL434086 | 0.68 | MIF (0.54) | ALDH1A1TP53LMNAPKMMEN1 | |
| SCHEMBL13178919 | 0.68 | KDM4E (0.52) | ALDH1A1TP53MEN1KMT2AMAPT | |
| SCHEMBL25124429 | 0.67 | IDH1 (0.52) | ALDH1A1TP53DDB1CRBNLMNA | |
| SCHEMBL614398 | 0.66 | SIGMAR1 (0.47) | ALDH1A1DDB1CRBNLMNAPKM | |
| SCHEMBL5544722 | 0.66 | IDO1 (0.57) | ALDH1A1TP53PKMKMOTSHR |
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-2017184662-A1 | SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-10-26 | — | — | WO | disclosed |