Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.68 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 4/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | AXL | P30530 | 1/20 | 0.42 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.42 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.42 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| 2-Phenylthiazole SCHEMBL27722096 | 0.86 | PDPK1 (0.64) | CYP2A6PDPK1HDAC2 | |
| SCHEMBL29381812 | 0.82 | CYP2A6 (1.00) | CYP2A6PDPK1CYP3A4CYP2C9CYP2E1 | |
| SCHEMBL252650 | 0.82 | CYP2A6 (1.00) | CYP2A6PDPK1CYP3A4CYP2C9CYP2E1 | |
| Acetic Acid SCHEMBL5455986 | 0.79 | CYP2A6 (0.78) | CYP2A6PDPK1CYP3A4CYP2C9CYP2E1 | |
| Ethoxycarbonyl Group SCHEMBL28814594 | 0.78 | CYP2A6 (0.43) | CYP2A6CYP3A4CYP2C9CYP2E1CYP2B6 | |
| Acetic Acid Methyl Ester SCHEMBL5465492 | 0.78 | CYP2A6 (0.71) | CYP2A6PDPK1CYP3A4CYP2C9CYP2E1 | |
| Ethoxycarbonyl Group SCHEMBL29291640 | 0.78 | ADRB2 (0.47) | CYP2A6PDPK1HDAC2 | |
| 3-Methylpyridine SCHEMBL28078587 | 0.73 | CYP2A6 (0.41) | CYP2A6CYP3A4PTGS2TSHRNPC1 | |
| Ethoxycarbonyl Group SCHEMBL28058501 | 0.73 | METAP2 (0.68) | CYP2A6CYP3A4CYP2C9CYP2E1CYP2B6 | |
| Ethoxycarbonyl Group SCHEMBL27864996 | 0.72 | LMNA (0.39) | CYP19A1PTGS2TSHRNPC1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105339368-A | 3-aryl-substituted imidazo[1,2-a]pyridines and the use thereof | Bayer Pharma AG | 2016-02-17 | — | — | CN | disclosed |
| CN-101910143-B | Fused Aminodihydrothiazine Derivatives | EISAI R&D MAN CO LTD | 2013-08-21 | — | — | CN | disclosed |
| CN-101910143-A | Fused Aminodihydrothiazine Derivatives | EISAI R&D MAN CO LTD | 2010-12-08 | — | — | CN | disclosed |