Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PDE9A | O76083 | 1/20 | 0.35 |
| ▸ | UTS2R | Q9UKP6 | 4/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 4/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.33 |
| ▸ | ITK | Q08881 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.32 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.32 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | CTSV | O60911 | 1/20 | 0.31 |
| ▸ | CTSL | P07711 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6989632 | 0.74 | GAA (0.40) | MEN1KMT2APDE9AESR1ESR2 | |
| SCHEMBL6986759 | 0.70 | PDE9A (0.35) | MEN1KMT2APDE9ACHRNB2CHRNA7 | |
| SCHEMBL10398544 | 0.66 | NPC1 (0.41) | MEN1KMT2AGAAEGFR | |
| SCHEMBL6989533 | 0.65 | PDE9A (0.42) | MEN1KMT2APDE9AGAACTSV | |
| SCHEMBL10736084 | 0.62 | MEN1 (0.51) | MEN1KMT2AUTS2RESR1ESR2 | |
| SCHEMBL6991503 | 0.61 | CYP19A1 (0.39) | — | |
| SCHEMBL6882102 | 0.60 | HTT (0.55) | BCHECHRNB2CHRNA7CHRNA4GAA | |
| SCHEMBL28987813 | 0.60 | MEN1 (0.52) | MEN1KMT2AESR1ESR2CHRNB2 | |
| SCHEMBL10737694 | 0.59 | MEN1 (0.55) | MEN1KMT2APDE9AESR1ESR2 | |
| SCHEMBL10737604 | 0.59 | CHRNB2 (0.56) | MEN1KMT2AESR1ESR2CHRNB2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1303508-A1 | SUBSTITUTED 1-(4-AMINOPHENYL)INDOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | Boehringer Ingelheim Pharmaceuticals, Inc. (US) | 2003-04-23 | — | — | EP | disclosed |
| WO-2002006273-A1 | SUBSTITUTED 1-(4-AMINOPHENYL)INDOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-01-24 | — | — | WO | disclosed |