Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.36 |
| ▸ | P2RY12 | Q9H244 | 6/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | MITF | O75030 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | IGF1R | P08069 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL2995753 | 0.95 | CISD1 (0.35) | ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A | |
| Trifluoroacetic Acid SCHEMBL5050802 | 0.95 | CISD1 (0.35) | ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL4586480 | 0.90 | IGF1R (0.37) | ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL4586165 | 0.88 | RAB9A (0.37) | SMN1; SMN2NPC1RAB9AKMT2AMEN1 | |
| Trifluoroacetic Acid SCHEMBL2991044 | 0.84 | DHODH (0.38) | NPC1RAB9AKMT2AMEN1CISD1 | |
| Trifluoroacetic Acid SCHEMBL5049812 | 0.84 | DHODH (0.38) | NPC1RAB9AKMT2AMEN1CISD1 | |
| SCHEMBL2988361 | 0.83 | SRC (0.39) | ALDH1A1SMN1; SMN2KMT2AMEN1CISD1 | |
| SCHEMBL5049962 | 0.83 | SRC (0.39) | ALDH1A1SMN1; SMN2KMT2AMEN1CISD1 | |
| SCHEMBL2996481 | 0.83 | DYRK3 (0.42) | ALDH1A1NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL2996479 | 0.83 | DYRK3 (0.42) | ALDH1A1NPC1RAB9AKMT2AMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1879563-A4 | NOVEL CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2008-07-16 | — | — | EP | claimed |
| EP-1879563-A2 | NOVEL CHEMICAL COMPOUNDS | Smithkline Beecham Corporation (US) | 2008-01-23 | — | — | EP | claimed |
| WO-2006132739-A2 | NOVEL CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-12-14 | — | — | WO | claimed |