Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CTNNB1 | P35222 | 5/20 | 0.48 |
| ▸ | WNT3A | P56704 | 5/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.43 |
| ▸ | FEN1 | P39748 | 1/20 | 0.43 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NSD2 | O96028 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | FERMT2 | Q96AC1 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5239399 | 0.81 | CYP1A2 (0.46) | CYP1A2LOXL2ADORA2AADORA1PTPN1 | |
| Bromide SCHEMBL5257264 | 0.81 | CYP1A2 (0.51) | CYP1A2CTNNB1WNT3ALOXL2ERCC5 | |
| SCHEMBL5235891 | 0.80 | CYP1A2 (0.45) | CYP1A2CTNNB1WNT3ALOXL2ADORA2A | |
| SCHEMBL5237313 | 0.79 | RAB9A (0.56) | CYP1A2LOXL2PTPN1NPC1RAB9A | |
| SCHEMBL5232563 | 0.79 | LOXL2 (0.46) | CYP1A2CTNNB1WNT3ALOXL2ADORA2A | |
| SCHEMBL5232556 | 0.79 | LOXL2 (0.46) | CYP1A2CTNNB1WNT3ALOXL2ADORA2A | |
| SCHEMBL29987166 | 0.78 | CYP1A2 (0.61) | CYP1A2CTNNB1WNT3ALOXL2PTPN1 | |
| SCHEMBL5239658 | 0.78 | CYP1A2 (0.61) | CYP1A2CTNNB1WNT3ALOXL2PTPN1 | |
| SCHEMBL5239566 | 0.78 | CYP1A2 (0.43) | CYP1A2LOXL2ADORA2AADORA1RAB9A | |
| SCHEMBL5240712 | 0.76 | CYP1A2 (0.49) | CYP1A2LOXL2ADORA2AADORA1PTPN1 |
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-1397364-B1 | NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | LILLY CO ELI (US) | 2007-07-25 | — | — | EP | disclosed |