Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | SI | P14410 | 1/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12708935 | 0.80 | CYP1A2 (0.39) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL135497 | 0.79 | LMNA (0.44) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL18256664 | 0.79 | TSHR (0.44) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL16546270 | 0.76 | EPHX1 (0.37) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL4702420 | 0.76 | CYP1A2 (0.45) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL5535872 | 0.76 | STING1 (0.35) | LMNA | |
| SCHEMBL25061649 | 0.75 | ALOX15 (0.36) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL16546271 | 0.74 | PRKCA (0.35) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL17973860 | 0.74 | CTDSP1 (0.41) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL1863674 | 0.74 | CYP1A2 (0.47) | CYP1A2GAAMGAMSIMGAM2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1553074-B1 | FUSED BENZENE DERIVATIVE AND USE | TAKEDA PHARMACEUTICAL (JP) | 2014-06-18 | — | — | EP | disclosed |
| US-7649001-B2 | Fused benzene derivative and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-01-19 | — | — | US | disclosed |
| US-4786750-A | Pentene derivatives | ICI AMERICAS INC. (US) | 1988-11-22 | — | — | US | disclosed |
| US-4709063-A | Preparation of 2-halo-5-methylpyridines from 4-methyl-4-pentene derivatives | ICI AMERICAS INC. (US) | 1987-11-24 | — | — | US | disclosed |
| US-4628096-A | Preparation of 2-halo-5-methylpyridines from 4-methyl-4-pentene derivatives | ICI AMERICAS INC. (US) | 1986-12-09 | — | — | US | disclosed |
| US-4504664-A | 2-Piperidones | ICI AMERICAS INC. (US) | 1985-03-12 | — | — | US | disclosed |