Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPY5R | Q15761 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | GNRHR | P30968 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL16860861 | 0.76 | NOTUM (0.36) | NPY5RALDH1A1KDM1AGNRHRKCNH2 | |
| SCHEMBL7008648 | 0.75 | CYP3A4 (0.33) | NPY5R | |
| SCHEMBL3991429 | 0.71 | EPHX2 (0.33) | ALDH1A1 | |
| SCHEMBL7144062 | 0.71 | KMT2A (0.40) | NPY5RALDH1A1NPC1RAB9AMAPT | |
| Hydrochloric Acid SCHEMBL7007458 | 0.71 | NPY5R (0.49) | NPY5RALDH1A1L3MBTL1 | |
| SCHEMBL7004741 | 0.69 | HTR7 (0.34) | NPY5RALDH1A1TSHR | |
| SCHEMBL16539832 | 0.69 | HTR2C (0.43) | KDM1ANPC1RAB9AP2RX3L3MBTL1 | |
| SCHEMBL7004742 | 0.69 | MAPT (0.37) | NPY5RALDH1A1RAB9AMAPTKDM4E | |
| SCHEMBL7151385 | 0.68 | NPY5R (0.38) | NPY5RALDH1A1NPC1RAB9AMAPT | |
| SCHEMBL7009460 | 0.68 | HCRTR2 (0.34) | NPC1RAB9AMAPT |
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 |