Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | APP | P05067 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.51 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | CASP3 | P42574 | 1/20 | 0.49 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.49 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.49 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL49913 | 0.85 | POLB (0.66) | CYP2C9CYP2C19CYP1A2POLBHTT | |
| Hydrochloric Acid SCHEMBL3584951 | 0.84 | POLB (0.64) | CYP2C9CYP2C19CYP1A2POLBHTT | |
| Ethyl Nicotinate SCHEMBL30173468 | 0.81 | TP53 (0.53) | CYP2C9CYP2C19CYP1A2TP53HTT | |
| Niacin SCHEMBL27368022 | 0.79 | ALDH1A1 (0.64) | CYP2C9CYP2C19TP53HTTALDH1A1 | |
| Ethyl Nicotinate SCHEMBL27261943 | 0.78 | L3MBTL1 (0.69) | CYP2C9CYP2C19TP53ALDH1A1APP | |
| Ethyl Benzoate SCHEMBL28212266 | 0.78 | CYP2C19 (0.57) | CYP2C9CYP2C19CYP1A2POLBHTT | |
| Niacin SCHEMBL27932655 | 0.77 | ALDH1A1 (0.66) | CYP2C9CYP2C19CYP1A2TP53HTT | |
| Ethyl Nicotinate SCHEMBL8164637 | 0.77 | L3MBTL1 (0.71) | TP53ALDH1A1LMNAL3MBTL1KMT2A | |
| Ethyl Nicotinate SCHEMBL24853 | 0.77 | L3MBTL1 (0.71) | TP53ALDH1A1LMNAL3MBTL1KMT2A | |
| Ethyl Nicotinate SCHEMBL1330922 | 0.77 | L3MBTL1 (0.71) | TP53ALDH1A1LMNAL3MBTL1KMT2A |
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-1560827-A1 | ANTI-INFECTIVE AGENTS | Abbott Laboratories (US) | 2005-08-10 | — | — | EP | disclosed |
| WO-2004041818-A1 | ANTI-INFECTIVE AGENTS | ABBOTT LABORATORIES (US) | 2004-05-21 | — | — | WO | disclosed |