Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.51 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.48 |
| ▸ | FEN1 | P39748 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | TNKS | O95271 | 1/20 | 0.45 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.45 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.45 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.45 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.45 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | TLR4 | O00206 | 1/20 | 0.41 |
| ▸ | TLR2 | O60603 | 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 | |
|---|---|---|---|---|
| SCHEMBL20363976 | 0.88 | PARP14 (0.44) | AKR1C3HDAC8ERCC5FEN1ALDH1A1 | |
| SCHEMBL441773 | 0.78 | NOS1 (0.40) | KDM4ENPC1MEN1KMT2AMAOB | |
| SCHEMBL2945465 | 0.78 | NOS1 (0.40) | KDM4ENPC1MEN1KMT2AMAOB | |
| SCHEMBL31295303 | 0.77 | HDAC8 (0.73) | AKR1C3HDAC8ERCC5FEN1ALDH1A1 | |
| SCHEMBL2830822 | 0.77 | HDAC8 (0.73) | AKR1C3HDAC8ERCC5FEN1ALDH1A1 | |
| SCHEMBL20114490 | 0.73 | PARP1 (0.48) | HDAC8KAT6ANPC1MEN1KMT2A | |
| SCHEMBL16366188 | 0.73 | C1S (0.48) | SMN1; SMN2 | |
| SCHEMBL2531295 | 0.70 | PARP10 (0.83) | AKR1C3HDAC8ERCC5FEN1ALDH1A1 | |
| SCHEMBL19608231 | 0.70 | AKR1C3 (0.61) | AKR1C3HDAC8ERCC5FEN1KDM4E | |
| SCHEMBL30434552 | 0.70 | PARP10 (0.83) | AKR1C3HDAC8ERCC5FEN1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3083564-B1 | HETEROARYL BUTANOIC ACID DERIVATIVES AS LTA4H INHIBITORS | NOVARTIS AG (CH) | 2018-07-11 | — | — | EP | disclosed |