Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.64 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.53 |
| ▸ | FEN1 | P39748 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | STS | P08842 | 2/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | TNKS | O95271 | 1/20 | 0.50 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.50 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.50 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.50 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.50 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8897485 | 0.89 | AKR1C3 (0.78) | AKR1C3HDAC8NPC1ERCC5FEN1 | |
| SCHEMBL30057548 | 0.88 | AKR1C3 (0.75) | AKR1C3HDAC8NPC1ERCC5FEN1 | |
| SCHEMBL11002454 | 0.88 | AKR1C3 (0.75) | AKR1C3HDAC8NPC1ERCC5FEN1 | |
| SCHEMBL8848201 | 0.85 | AKR1C3 (0.66) | AKR1C3HDAC8NPC1ERCC5FEN1 | |
| SCHEMBL30643036 | 0.84 | SRD5A2 (0.70) | AKR1C3HDAC8NPC1ERCC5FEN1 | |
| SCHEMBL26624059 | 0.84 | SRD5A2 (0.70) | AKR1C3HDAC8NPC1ERCC5FEN1 | |
| SCHEMBL2868057 | 0.84 | SRD5A2 (0.70) | AKR1C3HDAC8NPC1ERCC5FEN1 | |
| Diphenylether SCHEMBL8363381 | 0.84 | LTA4H (0.57) | AKR1C3HDAC8SRD5A2PARP10 | |
| SCHEMBL10974054 | 0.80 | AKR1C3 (0.64) | AKR1C3HDAC8NPC1ERCC5FEN1 | |
| SCHEMBL10593556 | 0.79 | SRD5A2 (0.72) | AKR1C3HDAC8POLBSTSSRD5A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106456602-A | Substituted indole MCL-1 inhibitors | 范德比尔特大学 | 2017-02-22 | — | — | CN | disclosed |