Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | METAP1 | P53582 | 1/20 | 0.44 |
| ▸ | ATR | Q13535 | 1/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30026311 | 0.89 | NAMPT (0.46) | METAP1ATRNAMPTHTTRAB9A | |
| SCHEMBL8984337 | 0.89 | NAMPT (0.46) | METAP1ATRNAMPTHTTRAB9A | |
| SCHEMBL4669212 | 0.86 | DHODH (0.51) | METAP1ATRHTTRAB9AKMT2A | |
| SCHEMBL4351188 | 0.84 | ATR (0.56) | METAP1ATRNAMPTHTTRAB9A | |
| SCHEMBL14979177 | 0.84 | AKT1 (0.41) | METAP1ATRNAMPTHTTRAB9A | |
| SCHEMBL14291452 | 0.84 | ATR (0.44) | METAP1ATRNAMPTHTTRAB9A | |
| SCHEMBL29142183 | 0.82 | METAP1 (0.46) | METAP1ATRNAMPTHTTRAB9A | |
| SCHEMBL29857768 | 0.82 | METAP1 (0.46) | METAP1ATRNAMPTHTTRAB9A | |
| SCHEMBL14979178 | 0.81 | METAP1 (0.39) | METAP1ATRNAMPTHTTCYP17A1 | |
| SCHEMBL15266282 | 0.80 | METAP1 (0.56) | METAP1ATRNAMPTRAB9ACYP17A1 |
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-2781508-B9 | NITROGEN-CONTAINING FUSED RING COMPOUNDS FOR USE AS CRTH2 ANTAGONISTS | KBP BIOSCIENCES CO LTD (CN) | 2019-08-21 | — | — | EP | disclosed |
| WO-2013071880-A1 | NITROGEN-CONTAINING FUSED RING COMPOUNDS FOR USE AS CRTH2 ANTAGONISTS | 山东亨利医药科技有限责任公司 (CN) | 2013-05-23 | — | — | WO | disclosed |