Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | FAAH | O00519 | 1/20 | 0.51 |
| ▸ | MGLL | Q99685 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CALM1 | P0DP23 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3951209 | 0.87 | CYP3A4 (0.51) | NPC1RAB9ACYP3A4HPGDALDH1A1 | |
| SCHEMBL3948792 | 0.85 | FAAH (0.48) | NPC1RAB9ACYP3A4HPGDALDH1A1 | |
| SCHEMBL11064961 | 0.81 | PLAAT3 (0.52) | NPC1RAB9AHPGDALDH1A1MEN1 | |
| SCHEMBL13942051 | 0.81 | APP (0.49) | ALDH1A1TSHRKDM4E | |
| SCHEMBL3939955 | 0.80 | CYP3A4 (0.47) | NPC1RAB9ACYP3A4HPGDALDH1A1 | |
| SCHEMBL29067208 | 0.79 | CYP3A4 (0.74) | NPC1RAB9ACYP3A4HPGDALDH1A1 | |
| SCHEMBL28999850 | 0.78 | HPGD (0.71) | NPC1RAB9ACYP3A4HPGDALDH1A1 | |
| SCHEMBL4326400 | 0.75 | FFAR1 (0.48) | HPGDALDH1A1MAOBMEN1KMT2A | |
| SCHEMBL29067211 | 0.75 | CYP3A4 (0.68) | NPC1RAB9ACYP3A4HPGDALDH1A1 | |
| SCHEMBL3948704 | 0.75 | CYP3A4 (0.44) | NPC1RAB9ACYP3A4ALDH1A1FAAH |
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-2009020457-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2009-02-12 | — | — | WO | disclosed |