Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.34 |
| ▸ | HTR6 | P50406 | 3/20 | 0.34 |
| ▸ | HTR1A | P08908 | 3/20 | 0.34 |
| ▸ | HTR7 | P34969 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | HTR2B | P41595 | 2/20 | 0.34 |
| ▸ | HTR3A | P46098 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.34 |
| ▸ | TYMP | P19971 | 1/20 | 0.33 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7012737 | 0.75 | GABRP (0.45) | HTR6 | |
| SCHEMBL7144062 | 0.74 | KMT2A (0.40) | ALDH1A1HSD17B10CHEK1ROCK2 | |
| SCHEMBL7009838 | 0.73 | GNRHR (0.34) | — | |
| SCHEMBL7145511 | 0.72 | NPY5R (0.35) | HTR6HTR1AHTR7HTR2AHTR2B | |
| SCHEMBL7009877 | 0.70 | HTR7 (0.36) | CYP1A2HTR6HTR7CYP3A4HTR2B | |
| SCHEMBL7009460 | 0.70 | HCRTR2 (0.34) | LMNAMAPK1 | |
| SCHEMBL7151385 | 0.70 | NPY5R (0.38) | HTR6ALDH1A1HSD17B10DRD2NR1I2 | |
| SCHEMBL7008780 | 0.69 | HTR1A (0.38) | HTR6HTR1AHTR7CYP3A4TSHR | |
| SCHEMBL7004741 | 0.67 | HTR7 (0.34) | CYP1A2HTR7CYP3A4TSHRCYP2D6 | |
| SCHEMBL7007085 | 0.67 | NAAA (0.39) | HTR6TSHRLMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1129089-A4 | SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2003-01-22 | — | — | EP | disclosed |
| EP-1129089-A1 | SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2001-09-05 | — | — | EP | disclosed |
| WO-2000027845-A1 | SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2000-05-18 | — | — | WO | disclosed |