Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.64 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | JAK2 | O60674 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2069920 | 0.85 | TP53 (0.68) | TP53NPC1JAK2RAB9APAX8 | |
| SCHEMBL3364487 | 0.85 | ALDH1A1 (0.66) | TP53ALDH1A1GLATSHRSMN1; SMN2 | |
| SCHEMBL14230004 | 0.84 | TP53 (0.89) | TP53NPC1JAK2RAB9APAX8 | |
| SCHEMBL11370872 | 0.84 | TP53 (0.66) | TP53NPC1JAK2RAB9APAX8 | |
| SCHEMBL16627492 | 0.83 | TP53 (0.70) | TP53NPC1JAK2RAB9APAX8 | |
| SCHEMBL271899 | 0.82 | TP53 (0.64) | TP53NPC1JAK2RAB9APAX8 | |
| SCHEMBL4160577 | 0.82 | RAB9A (0.77) | TP53NPC1JAK2RAB9APAX8 | |
| SCHEMBL164621 | 0.81 | TP53 (0.61) | TP53NPC1JAK2RAB9APAX8 | |
| SCHEMBL10960593 | 0.81 | ALDH1A1 (0.70) | TP53NPC1JAK2RAB9APAX8 | |
| SCHEMBL9295793 | 0.81 | TP53 (0.62) | TP53NPC1JAK2RAB9APAX8 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1937639-A2 | PYRIDINAMINOSULFONYL SUBSTITUTED BENZAMIDES AS INHIBITORS OF CYTOCHROME P450 3A4 (CYP3A4) | Pfizer Products Incorporated (US) | 2008-07-02 | — | — | EP | disclosed |
| WO-2008047883-A1 | PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-04-24 | — | — | WO | disclosed |
| WO-2007034312-A2 | PYRIDINAMINOSULFONYL SUBSTITUTED BENZAMIDES AS INHIBITORS OF CYTOCHROME P450 3A4 (CYP3A4) | PFIZER PRODUCTS INC. (US) | 2007-03-29 | — | — | WO | disclosed |
| EP-1682545-A1 | IMIDAZOPYRIDINE SUBSTITUTED TROPANE DERIVATIVES WITH CCR5 RECEPTOR ANTAGONIST ACTIVITY FOR THE TREATMENT OF HIV AND INFLAMMATION | Pfizer Limited (GB) | 2006-07-26 | — | — | EP | disclosed |
| WO-2005033107-A1 | IMIDAZOPYRIDINE SUBSTITUTED TROPANE DERIVATIVES WITH CCR5 RECEPTOR ANTAGONIST ACTIVITY FOR THE TREATMENT OF HIV AND INFLAMMATION | PFIZER LIMITED (GB) | 2005-04-14 | — | — | WO | disclosed |