Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.47 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL7698279 | 1.00 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2LMNANPC1RAB9A | |
| SCHEMBL7696480 | 0.89 | SMN1; SMN2 (0.55) | ALDH1A1SMN1; SMN2NPC1RAB9APOLB | |
| SCHEMBL7692144 | 0.89 | LMNA (0.55) | ALDH1A1SMN1; SMN2LMNANPC1RAB9A | |
| SCHEMBL7696476 | 0.89 | SMN1; SMN2 (0.55) | ALDH1A1SMN1; SMN2NPC1RAB9APOLB | |
| SCHEMBL7692146 | 0.89 | LMNA (0.55) | ALDH1A1SMN1; SMN2LMNANPC1RAB9A | |
| SCHEMBL7658865 | 0.88 | SMN1; SMN2 (0.54) | ALDH1A1SMN1; SMN2LMNANPC1RAB9A | |
| SCHEMBL7197538 | 0.88 | SMN1; SMN2 (0.54) | ALDH1A1SMN1; SMN2LMNANPC1RAB9A | |
| SCHEMBL7697363 | 0.87 | SMN1; SMN2 (0.55) | ALDH1A1SMN1; SMN2LMNANPC1RAB9A | |
| SCHEMBL7695718 | 0.87 | SMN1; SMN2 (0.55) | ALDH1A1SMN1; SMN2LMNANPC1RAB9A | |
| SCHEMBL7691713 | 0.86 | HPGD (0.58) | ALDH1A1SMN1; SMN2LMNANPC1RAB9A |
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 |