Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | TCF4 | P15884 | 1/20 | 0.50 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.50 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.44 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | GPR17 | Q13304 | 1/20 | 0.43 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.43 |
| ▸ | CASR | P41180 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3340741 | 0.89 | GPR17 (0.50) | TDP1TCF4CTNNB1LOXL2TSHR | |
| SCHEMBL3340488 | 0.89 | TSHR (0.58) | LOXL2CA1CA2CA9TSHR | |
| SCHEMBL2458334 | 0.87 | KMT2A (0.46) | LOXL2CA1CA2CA9CA12 | |
| SCHEMBL4810030 | 0.85 | LOXL2 (0.50) | LOXL2CA1CA2CA9CA12 | |
| SCHEMBL9149153 | 0.85 | TDP1 (0.51) | TDP1LOXL2CA1CA2CA9 | |
| SCHEMBL1568650 | 0.82 | ADRB2 (0.54) | LOXL2TSHRCYP4F2CYP4A11ALDH1A1 | |
| SCHEMBL4407209 | 0.80 | TSHR (0.53) | LOXL2CA1CA2CA9CA12 | |
| SCHEMBL4407205 | 0.80 | TSHR (0.53) | LOXL2CA1CA2CA9CA12 | |
| SCHEMBL2650423 | 0.80 | TSHR (0.53) | LOXL2CA1CA2CA9CA12 | |
| SCHEMBL14108185 | 0.80 | OPRD1 (0.48) | TDP1TSHRALDH1A1MAPTHPGD |
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-2170815-A2 | RENIN INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2010-04-07 | — | — | EP | disclosed |
| WO-2008156817-A2 | RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2008-12-24 | — | — | WO | disclosed |