Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 5/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL7471565 | 0.80 | HTT (0.42) | IDO1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16224885 | 0.78 | ACLY (0.49) | IDO1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL11775528 | 0.78 | ACLY (0.49) | IDO1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL28028808 | 0.76 | KCNH2 (0.51) | SMN1; SMN2CNR1 | |
| SCHEMBL28316114 | 0.75 | IDO1 (0.50) | IDO1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL7470784 | 0.74 | CHRM2 (0.42) | — | |
| SCHEMBL6681310 | 0.73 | IDO1 (0.52) | IDO1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL7468749 | 0.72 | SIGMAR1 (0.47) | IDO1MAPT | |
| SCHEMBL8609143 | 0.72 | SMN1; SMN2 (0.60) | HTTLMNASMN1; SMN2 | |
| SCHEMBL4995355 | 0.72 | IDO1 (0.50) | IDO1CYP1A2CYP3A4CYP2C9MAPK1 |
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 2 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 | disclosed |
| WO-2001047875-A1 | SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-07-05 | — | — | WO | disclosed |