Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2B | P41595 | 2/20 | 0.51 |
| ▸ | IDO1 | P14902 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.46 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.45 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | MELK | Q14680 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7695005 | 1.00 | HTR2B (0.51) | HTR2BIDO1CHRM1CHRM3LMNA | |
| SCHEMBL7693549 | 0.87 | LMNA (0.60) | HTR2BIDO1LMNASMN1; SMN2GRIN2B | |
| SCHEMBL7689923 | 0.87 | LMNA (0.60) | HTR2BIDO1LMNASMN1; SMN2GRIN2B | |
| SCHEMBL7691203 | 0.86 | EPHX2 (0.49) | HTR2BIDO1LMNASMN1; SMN2GRIN2B | |
| SCHEMBL7692302 | 0.86 | EPHX2 (0.49) | HTR2BIDO1LMNASMN1; SMN2GRIN2B | |
| SCHEMBL7088260 | 0.86 | MAPK1 (0.53) | HTR2BIDO1LMNASMN1; SMN2GRIN2B | |
| SCHEMBL7085312 | 0.86 | MAPK1 (0.53) | HTR2BIDO1LMNASMN1; SMN2GRIN2B | |
| SCHEMBL7085306 | 0.86 | MAPK1 (0.53) | HTR2BIDO1LMNASMN1; SMN2GRIN2B | |
| SCHEMBL7690880 | 0.86 | EPHX2 (0.49) | HTR2BIDO1LMNASMN1; SMN2GRIN2B | |
| SCHEMBL7083207 | 0.85 | IDO1 (0.56) | HTR2BIDO1SMN1; SMN2GRIN2BGRIN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6291499-B1 | TREATING MIGRAINE, DEPRESSION, ANXIETY, SCHIZOPHRENIA, PARKINSON'S DISEASE, OR STROKE | MERCK & CO., INC. | 2001-09-18 | — | — | US | claimed |
| US-6380205-B1 | QUINAZOLINE THROUGH A C1-C4ALKYL, C1- C4ALKENYL, C1-C4ALKYNYL, C1-C4ALKOXY, AMINO, AMINOC1-C4ALKYL, HYDROXYC1-C4ALKYL, CARBONYL, CYCLOC3-C6ALKYL OR AMINOCARBONYL CHAIN, USEFUL FOR TREATMENT OF THE PAIN | MERCK & CO., INC. | 2002-04-30 | — | — | US | disclosed |
| US-6291499-B1 | TREATING MIGRAINE, DEPRESSION, ANXIETY, SCHIZOPHRENIA, PARKINSON'S DISEASE, OR STROKE | MERCK & CO., INC. | 2001-09-18 | — | — | US | disclosed |