Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 1/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.46 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.41 |
| ▸ | TUBB | P07437 | 2/20 | 0.41 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.41 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.41 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.41 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.41 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.41 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.41 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.41 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.41 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.41 |
| ▸ | TUBA1C | Q9BQE3 | 2/20 | 0.41 |
| ▸ | TUBB6 | Q9BUF5 | 2/20 | 0.41 |
| ▸ | TUBB2B | Q9BVA1 | 2/20 | 0.41 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL11038251 | 0.77 | VCP (0.48) | MTNR1AMTNR1BTUBB4ATUBBTUBA3C | |
| SCHEMBL11038249 | 0.77 | VCP (0.48) | MTNR1AMTNR1BTUBB4ATUBBTUBA3C | |
| SCHEMBL28290999 | 0.77 | ERN1 (0.50) | ALDH1A1CYP1A2CYP2C19ERN1TSHR | |
| SCHEMBL1886943 | 0.77 | MTNR1A (0.49) | MTNR1AMTNR1BTUBB4ATUBBTUBA3C | |
| SCHEMBL30608694 | 0.74 | ERN1 (0.55) | ALDH1A1ERN1TSHRCYP2A6 | |
| SCHEMBL18683086 | 0.74 | NPC1 (0.62) | BRD4 | |
| SCHEMBL1400405 | 0.74 | MTNR1A (0.47) | MTNR1AMTNR1BTUBB4ATUBBTUBA3C | |
| SCHEMBL2085433 | 0.74 | TUBB4A (0.47) | MTNR1AMTNR1BTUBB4ATUBBTUBA3C | |
| SCHEMBL38660362 | 0.74 | TUBB4A (0.47) | MTNR1AMTNR1BTUBB4ATUBBTUBA3C | |
| SCHEMBL1141168 | 0.73 | LMNA (0.44) | ALDH1A1ERN1BRD4 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| EP-0858444-A4 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1999-12-01 | — | — | EP | disclosed |
| EP-0858444-A1 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 1998-08-19 | — | — | EP | disclosed |
| US-5750549-A | ANTIINFLAMMATORY AGENTS OR ANALGESICS | MERCK & CO., INC. (US) | 1998-05-12 | — | — | US | disclosed |
| WO-1997014671-A1 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1997-04-24 | — | — | WO | disclosed |
| EP-0162695-B1 | 6-OXYGENATED-1,3,,4,5-TETRAHYDROBENZ(CD)INDOL-4-AMINES | SMITHKLINE BEECHAM CORPORATION (US) | 1990-01-17 | — | — | EP | disclosed |
| EP-0162695-A1 | 6-Oxygenated-1,3,,4,5-Tetrahydrobenz(cd)indol-4-amines | SMITHKLINE BEECHAM CORPORATION (US) | 1985-11-27 | — | — | EP | disclosed |