Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | GCK | P35557 | 1/20 | 0.38 |
| ▸ | TNKS | O95271 | 1/20 | 0.38 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.38 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.38 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.38 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28909804 | 0.88 | KMO (0.47) | ALDH1A1SMN1; SMN2LMNAHDAC8NPC1 | |
| SCHEMBL23355435 | 0.75 | RAB9A (0.51) | SMN1; SMN2LMNAHDAC8NPC1RAB9A | |
| SCHEMBL28538655 | 0.74 | KDM4E (0.37) | ALDH1A1SMN1; SMN2LMNANPC1RAB9A | |
| SCHEMBL2830822 | 0.74 | HDAC8 (0.73) | ALDH1A1SMN1; SMN2LMNAHDAC8NPC1 | |
| SCHEMBL31295303 | 0.74 | HDAC8 (0.73) | ALDH1A1SMN1; SMN2LMNAHDAC8NPC1 | |
| SCHEMBL23355461 | 0.74 | RAB9A (0.48) | SMN1; SMN2LMNANPC1RAB9APOLB | |
| SCHEMBL2649884 | 0.74 | FABP1 (0.57) | ALDH1A1SMN1; SMN2LMNAHDAC8NPC1 | |
| SCHEMBL519443 | 0.72 | MAPT (0.37) | ALDH1A1SMN1; SMN2LMNAPOLBCYP2C9 | |
| SCHEMBL519129 | 0.72 | FFAR4 (0.39) | — | |
| SCHEMBL7229522 | 0.72 | NPC1 (0.64) | ALDH1A1SMN1; SMN2LMNAHDAC8NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3822263-A1 | BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVE | Daiichi Sankyo Company, Limited (JP) | 2021-05-19 | — | — | EP | disclosed |
| CN-112334460-A | Biaryl ether type quinazoline derivative | 第一三共株式会社 | 2021-02-05 | — | — | CN | disclosed |