Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | APAF1 | O14727 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | XBP1 | P17861 | 1/20 | 0.39 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | GALK1 | P51570 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7459591 | 1.00 | ESR2 (0.48) | ESR2CSNK2A1CYP2A6CYP1A2NPC1 | |
| SCHEMBL6436155 | 0.88 | ESR2 (0.59) | ESR2CSNK2A1CYP2A6CYP1A2NPC1 | |
| SCHEMBL16688110 | 0.88 | ESR2 (0.59) | ESR2CSNK2A1CYP2A6CYP1A2NPC1 | |
| SCHEMBL24781142 | 0.84 | ESR2 (0.55) | ESR2CSNK2A1CYP2A6CYP1A2NPC1 | |
| SCHEMBL19785384 | 0.82 | ESR2 (0.61) | ESR2CSNK2A1CYP2A6CYP1A2NPC1 | |
| SCHEMBL9593359 | 0.81 | AHR (0.53) | NPC1RAB9ASMN1; SMN2AHRSRD5A2 | |
| SCHEMBL7470617 | 0.78 | MEN1 (0.41) | CYP1A2NPC1RAB9ASMN1; SMN2NPSR1 | |
| SCHEMBL27686604 | 0.78 | MEN1 (0.41) | CYP1A2NPC1RAB9ASMN1; SMN2NPSR1 | |
| SCHEMBL7467103 | 0.78 | ESR2 (0.52) | ESR2CYP2A6NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL27851311 | 0.78 | PTGS2 (0.43) | CYP2A6NPC1RAB9ASMN1; SMN2NPSR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1244617-A1 | SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE | Ortho-McNeil Pharmaceutical, Inc. (US) | 2002-10-02 | — | — | EP | claimed |
| WO-2001047875-A1 | SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-07-05 | — | — | WO | claimed |
| EP-1244617-A1 | SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE | Ortho-McNeil Pharmaceutical, Inc. (US) | 2002-10-02 | — | — | EP | disclosed |
| WO-2001047875-A1 | SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-07-05 | — | — | WO | disclosed |