Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.60 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.58 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.56 |
| ▸ | KAT6A | Q92794 | 2/20 | 0.54 |
| ▸ | FOS | P01100 | 1/20 | 0.53 |
| ▸ | JUN | P05412 | 1/20 | 0.53 |
| ▸ | TNKS | O95271 | 1/20 | 0.53 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.53 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.53 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.53 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.53 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.48 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | FABP1 | P07148 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL16108766 | 0.87 | NR1H4 (0.60) | NR1H4SIRT2KAT6AFOSJUN | |
| SCHEMBL1436279 | 0.85 | NR1H4 (0.63) | NR1H4KAT6AFOSJUNKMT2A | |
| SCHEMBL931583 | 0.85 | NR1H4 (0.75) | NR1H4KAT6AFOSJUNKMT2A | |
| SCHEMBL201949 | 0.84 | NR1H4 (0.60) | PARP1NR1H4TNKSPARP15PARP14 | |
| SCHEMBL18952331 | 0.84 | PARP1 (0.56) | PARP1TNKSPARP15PARP14PARP10 | |
| SCHEMBL3248766 | 0.84 | NR1H4 (0.58) | NR1H4SIRT2KAT6AFOSJUN | |
| SCHEMBL201166 | 0.84 | PARP1 (0.53) | PARP1NR1H4SIRT2TNKSPARP15 | |
| SCHEMBL201415 | 0.83 | PARP1 (0.55) | PARP1NR1H4TNKSPARP15PARP14 | |
| SCHEMBL26049008 | 0.83 | NR1H4 (0.60) | NR1H4KAT6AFOSJUNKMT2A | |
| SCHEMBL10431095 | 0.83 | PARP1 (0.54) | PARP1TNKSPARP15PARP14PARP10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004000806-A1 | AMIDES OF CYCLIC AMINO ACIDS USED AS PDE 4 INHIBITORS | ELBION AG (DE) | 2003-12-31 | — | — | WO | claimed |
| WO-2011022393-A2 | PHOSPHATIDYLCHOLINE TRANSFER PROTEIN INHIBITORS | THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) | 2011-02-24 | — | — | WO | disclosed |