Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 5/20 | 0.51 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.51 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 6/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.48 |
| ▸ | RAB9A | P51151 | 5/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.47 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.47 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL30657140 | 0.78 | NCEH1 (0.53) | LMNANCEH1CYP2A6NPC1SMN1; SMN2 | |
| SCHEMBL10186707 | 0.78 | PTPN22 (0.48) | NPC1SMN1; SMN2RAB9AL3MBTL1TDP1 | |
| SCHEMBL18650742 | 0.78 | NCEH1 (0.51) | LMNANCEH1NPC1SMN1; SMN2RAB9A | |
| SCHEMBL27607719 | 0.78 | NCEH1 (0.53) | NCEH1CYP2A6NPC1SMN1; SMN2RAB9A | |
| SCHEMBL2946 | 0.76 | ALDH1A1 (0.47) | NPC1SMN1; SMN2RAB9AL3MBTL1TDP1 | |
| SCHEMBL17291109 | 0.75 | MAPT (0.38) | LMNACYP2A6NPC1SMN1; SMN2RAB9A | |
| SCHEMBL13419565 | 0.75 | CYP2A6 (0.54) | LMNANCEH1CYP2A6NPC1SMN1; SMN2 | |
| SCHEMBL28814017 | 0.75 | ALDH1A1 (0.46) | NPC1SMN1; SMN2RAB9AL3MBTL1TDP1 | |
| SCHEMBL2327449 | 0.75 | MAPT (0.64) | LMNANCEH1CYP2A6NPC1SMN1; SMN2 | |
| SCHEMBL27808337 | 0.75 | ALDH1A1 (0.46) | NPC1SMN1; SMN2RAB9AL3MBTL1TDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018093695-A1 | FACTOR XIIa INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2018-05-24 | — | — | WO | disclosed |