Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 5/20 | 0.42 |
| ▸ | TAS1R1 | Q7RTX1 | 5/20 | 0.42 |
| ▸ | HTR1B | P28222 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | FABP3 | P05413 | 1/20 | 0.32 |
| ▸ | FABP4 | P15090 | 1/20 | 0.32 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.32 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.32 |
| ▸ | WNT3A | P56704 | 2/20 | 0.32 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8448325 | 0.85 | TAS1R3 (0.43) | TAS1R3TAS1R1HTR1BMAPTNR3C2 | |
| SCHEMBL8306195 | 0.76 | TAS1R3 (0.50) | TAS1R3TAS1R1HTR1BCTNNB1WNT3A | |
| SCHEMBL6584667 | 0.73 | TAS1R3 (0.39) | TAS1R3TAS1R1MAPTKDM4ECYP3A4 | |
| SCHEMBL12533391 | 0.73 | HTR1B (0.38) | HTR1BKDM4ECYP3A4CYP2D6CYP2A6 | |
| SCHEMBL28852964 | 0.73 | ALDH1A1 (0.47) | MAPTKDM4EHSD17B10 | |
| SCHEMBL30369402 | 0.72 | LMNA (0.49) | MAPTNR3C2 | |
| SCHEMBL4026932 | 0.72 | LMNA (0.49) | MAPTNR3C2 | |
| SCHEMBL24898696 | 0.71 | PSEN1 (0.46) | NR3C2KDM4E | |
| SCHEMBL21711541 | 0.71 | ESR1 (0.47) | NR3C2CYP3A4HSD17B10 | |
| SCHEMBL18103273 | 0.71 | MAPK1 (0.43) | MAPTKDM4E |
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-0901470-A1 | INDOLE DERIVATIVES USEFUL AS ENDOTHELIN RECEPTOR ANTAGONISTS | PFIZER INC. (US) | 1999-03-17 | — | — | EP | disclosed |
| WO-1997043260-A1 | INDOLE DERIVATIVES USEFUL AS ENDOTHELIN RECEPTOR ANTAGONISTS | PFIZER INC. (US) | 1997-11-20 | — | — | WO | disclosed |