Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 3/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | CKS1B | P61024 | 1/20 | 0.47 |
| ▸ | SKP1 | P63208 | 1/20 | 0.47 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.47 |
| ▸ | CTSS | P25774 | 2/20 | 0.45 |
| ▸ | CTSK | P43235 | 2/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP3 | P08254 | 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 | |
|---|---|---|---|---|
| SCHEMBL8399437 | 0.87 | AKT1 (0.45) | AKT1SIGMAR1IDO1CKS1BSKP1 | |
| SCHEMBL8401536 | 0.83 | PARP1 (0.42) | AKT1IDO1CKS1BSKP1SKP2 | |
| SCHEMBL4541522 | 0.81 | IDO1 (0.52) | AKT1SIGMAR1IDO1CKS1BSKP1 | |
| SCHEMBL8401489 | 0.81 | AKT1 (0.47) | AKT1SIGMAR1MEN1KMT2AIDO1 | |
| SCHEMBL22833183 | 0.80 | CTSL (0.54) | AKT1SIGMAR1IDO1CKS1BSKP1 | |
| SCHEMBL4583683 | 0.79 | POLB (0.65) | SIGMAR1MEN1NPC1RAB9AKMT2A | |
| SCHEMBL572740 | 0.79 | IDO1 (0.60) | SIGMAR1NPC1RAB9AIDO1CTSS | |
| SCHEMBL31420547 | 0.79 | IDO1 (0.50) | AKT1SIGMAR1MEN1NPC1RAB9A | |
| SCHEMBL20506777 | 0.78 | AKT1 (0.58) | AKT1SIGMAR1IDO1CKS1BSKP1 | |
| SCHEMBL8002649 | 0.78 | MEN1 (0.43) | AKT1MEN1KMT2ATDP1IDO1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5998415-A | Bicyclic heteroaryl-alkylene-(homo)piperazinones and thione analogues thereof, their preparation, and their use of as selective agonists of 5-HT1 -like receptors | MERCK SHARP & DOHME LTD. (GB) | 1999-12-07 | — | — | US | disclosed |