Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | NPY5R | Q15761 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.33 |
| ▸ | USP7 | Q93009 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.31 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.30 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7151385 | 0.92 | NPY5R (0.38) | KMT2ANPY5RGAAMAPTRAB9A | |
| SCHEMBL7145511 | 0.91 | NPY5R (0.35) | KMT2ANPY5RGAAMAPT | |
| SCHEMBL7011132 | 0.74 | CYP1A2 (0.34) | ALDH1A1HSD17B10CHEK1ROCK2 | |
| SCHEMBL7009460 | 0.73 | HCRTR2 (0.34) | MAPTRAB9ASMN1; SMN2NPC1 | |
| SCHEMBL7004741 | 0.73 | HTR7 (0.34) | KMT2ANPY5RSMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL7013385 | 0.71 | NPY5R (0.38) | NPY5RMAPTRAB9ANPC1ALDH1A1 | |
| SCHEMBL7008648 | 0.70 | CYP3A4 (0.33) | NPY5R | |
| SCHEMBL7009877 | 0.70 | HTR7 (0.36) | NPY5RMAPTALDH1A1KDM4EHPGD | |
| SCHEMBL7007085 | 0.69 | NAAA (0.39) | RAB9ANPC1 | |
| SCHEMBL16860861 | 0.69 | NOTUM (0.36) | NPY5RGAAALDH1A1KDM4E |
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 |