Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 7/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | FNTA | P49354 | 1/20 | 0.33 |
| ▸ | FNTB | P49356 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4574124 | 0.79 | RIPK1 (0.37) | RIPK1P2RX7FNTAFNTBHTR2A | |
| SCHEMBL14013946 | 0.76 | RIPK1 (0.39) | RIPK1P2RX7 | |
| SCHEMBL2022959 | 0.74 | XIAP (0.40) | CYP3A4GRM2 | |
| SCHEMBL4574178 | 0.72 | OPRK1 (0.38) | RIPK1P2RX7FNTAFNTB | |
| SCHEMBL28329769 | 0.69 | KMT2A (0.47) | ATMRIPK1ALDH1A1CYP1A2MAPT | |
| SCHEMBL4590377 | 0.68 | MLNR (0.42) | RIPK1ALDH1A1KDM4ESLC6A2SLC6A4 | |
| SCHEMBL22117597 | 0.68 | ATM (0.39) | ATMSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL29455856 | 0.68 | ATM (0.39) | ATMSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4574098 | 0.68 | RIPK1 (0.38) | RIPK1CYP1A2CYP3A4HTR2A | |
| SCHEMBL4575085 | 0.68 | RIPK1 (0.38) | RIPK1CYP1A2CYP3A4HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008134035-A1 | ALPHA-UNSUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-A] PYRIMIDINE AMIDE DERIVATIVES | PANACOS PHARMACEUTICALS, INC. (US) | 2008-11-06 | — | — | WO | disclosed |
| WO-2008134035-A1 | ALPHA-UNSUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-A] PYRIMIDINE AMIDE DERIVATIVES | PANACOS PHARMACEUTICALS, INC. (US) | 2008-11-06 | — | — | WO | disclosed |