Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | IDO1 | P14902 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.48 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.48 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7695551 | 1.00 | TP53 (0.51) | TP53IDO1TSHRMAPK10MTNR1A | |
| SCHEMBL7691193 | 0.90 | HPGD (0.59) | TP53TSHRMAPK10HSD17B10MAPT | |
| SCHEMBL7697784 | 0.90 | HPGD (0.59) | TP53TSHRMAPK10HSD17B10MAPT | |
| SCHEMBL7697551 | 0.87 | IDO1 (0.51) | IDO1POLBKDM4ESMN1; SMN2NPC1 | |
| SCHEMBL7698232 | 0.87 | IDO1 (0.51) | IDO1POLBKDM4ESMN1; SMN2NPC1 | |
| SCHEMBL7692414 | 0.85 | POLB (0.54) | IDO1POLBSMN1; SMN2NPC1RAB9A | |
| SCHEMBL7692413 | 0.85 | POLB (0.54) | IDO1POLBSMN1; SMN2NPC1RAB9A | |
| SCHEMBL7693070 | 0.83 | LMNA (0.56) | IDO1TSHRMAPTPOLBHPGD | |
| SCHEMBL7693074 | 0.83 | LMNA (0.56) | IDO1TSHRMAPTPOLBHPGD | |
| SCHEMBL7083207 | 0.82 | IDO1 (0.56) | TP53IDO1PKMHPGDALDH1A1 |
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 |