Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 2/20 | 0.58 |
| ▸ | CCR1 | P32246 | 1/20 | 0.46 |
| ▸ | SSTR1 | P30872 | 2/20 | 0.40 |
| ▸ | SSTR4 | P31391 | 2/20 | 0.40 |
| ▸ | BRD4 | O60885 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7263208 | 1.00 | ABCB11 (0.58) | ABCB11CCR1SSTR1SSTR4BRD4 | |
| SCHEMBL5583514 | 0.91 | ABCB11 (0.48) | ABCB11CCR1SSTR1SSTR4BRD4 | |
| SCHEMBL5583417 | 0.91 | ABCB11 (0.48) | ABCB11CCR1SSTR1SSTR4BRD4 | |
| SCHEMBL5583430 | 0.90 | ABCB11 (0.48) | ABCB11CCR1SSTR1SSTR4BRD4 | |
| SCHEMBL5583496 | 0.89 | ABCB11 (0.46) | ABCB11CCR1SSTR4BRD4LMNA | |
| Benzoic Acid SCHEMBL4199385 | 0.87 | CCR1 (0.54) | ABCB11CCR1SSTR1SSTR4BRD4 | |
| SCHEMBL4199387 | 0.86 | CCR1 (0.45) | ABCB11CCR1SSTR1SSTR4BRD4 | |
| SCHEMBL4199398 | 0.80 | CCR1 (0.46) | ABCB11CCR1BRD4LMNASMN1; SMN2 | |
| SCHEMBL7268791 | 0.74 | SLC6A2 (0.52) | ABCB11CCR1LMNASMN1; SMN2KMT2A | |
| SCHEMBL3807493 | 0.74 | ABCB11 (1.00) | ABCB11CCR1SSTR1SSTR4BRD4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4022142-B2 | — | — | 2007-12-12 | — | — | JP | claimed |
| JP-2004507461-A | — | — | 2004-03-11 | — | — | JP | claimed |
| EP-1299357-A1 | NOVEL COMPOUNDS | AstraZeneca AB (SE) | 2003-04-09 | — | — | EP | claimed |
| WO-2001098273-A1 | NOVEL COMPOUNDS | ASTRAZENECA AB (SE) | 2001-12-27 | — | — | WO | claimed |
| EP-1299357-A1 | NOVEL COMPOUNDS | AstraZeneca AB (SE) | 2003-04-09 | — | — | EP | disclosed |
| WO-2001098273-A1 | NOVEL COMPOUNDS | ASTRAZENECA AB (SE) | 2001-12-27 | — | — | WO | disclosed |