Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 2/20 | 0.48 |
| ▸ | TACR1 | P25103 | 5/20 | 0.45 |
| ▸ | EGFR | P00533 | 2/20 | 0.45 |
| ▸ | SRC | P12931 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | TSPO | P30536 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CCNC | P24863 | 1/20 | 0.40 |
| ▸ | CDK8 | P49336 | 1/20 | 0.40 |
| ▸ | VSIG8 | P0DPA2 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7659833 | 0.81 | TACR1 (0.45) | TACR1EGFRSRCCYP11B1CYP11B2 | |
| SCHEMBL7575218 | 0.81 | MTNR1A (0.47) | TACR1EGFRSRCCYP11B1CYP11B2 | |
| SCHEMBL7790369 | 0.80 | CXCR2 (0.52) | TACR1EGFRSRCMTNR1AMTNR1B | |
| SCHEMBL7798973 | 0.78 | TACR1 (0.48) | TACR1EGFRSRCMTNR1AMTNR1B | |
| SCHEMBL7238513 | 0.77 | TSPO (0.56) | TACR1TSPO | |
| SCHEMBL7572347 | 0.76 | MTNR1A (0.46) | TACR1EGFRSRCCYP11B1CYP11B2 | |
| SCHEMBL7233182 | 0.75 | TACR1 (0.50) | TACR1EGFRSRCMTNR1AMTNR1B | |
| SCHEMBL6805872 | 0.75 | TSPO (0.47) | TACR1MTNR1AMTNR1BTSPOMEN1 | |
| SCHEMBL7659783 | 0.75 | TACR1 (0.57) | TACR1CYP11B1CYP11B2 | |
| SCHEMBL22118373 | 0.73 | EGFR (0.65) | TACR1EGFRSRCDRD2HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| US-6476045-B2 | INDOLE AND AZAINDOLE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS, AND IN PARTICULAR AS NEUROKININ-1 RECEPTOR ANTAGONIST | MERCK SHARP & DOHME LTD. (GB) | 2002-11-05 | — | — | US | disclosed |