Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MT-CO2 | P00403 | 1/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.39 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7479440 | 1.00 | MT-CO2 (0.46) | MT-CO2CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL8909415 | 0.86 | KMT2A (0.40) | LMNAKMT2ANPSR1MEN1GAA | |
| SCHEMBL27824592 | 0.86 | HTT (0.35) | MT-CO2MAPTMAPK1LMNAALDH1A1 | |
| SCHEMBL8364820 | 0.86 | MT-CO2 (0.45) | MT-CO2CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL4648001 | 0.86 | MT-CO2 (0.45) | MT-CO2CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL2276227 | 0.86 | MT-CO2 (0.45) | MT-CO2CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL8380101 | 0.86 | KMT2A (0.45) | CHRNB2CHRNB4CHRNA3CHRNA4MAPT | |
| SCHEMBL7996806 | 0.85 | SLC6A3 (0.37) | MT-CO2LMNAKMT2ANPSR1MEN1 | |
| SCHEMBL2861381 | 0.84 | XBP1 (0.37) | LMNATDP1KMT2ANPSR1MEN1 | |
| SCHEMBL7308442 | 0.84 | KMT2A (0.41) | MAPTCYP1A2CYP2C9CYP2C19LMNA |
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-0923550-B1 | ACYLAMINOALKENYLENE-AMIDE DERIVATIVES AS NK1 AND NK2 ANTAGONISTS | NOVARTIS AG (CH) | 2002-09-25 | — | — | EP | disclosed |
| US-6319917-B1 | NEUROGENIC INFLAMMATION AND TACHYKININ BRONCHOCONSTRICTION INHIBITORS | NOVARTIS AG (CH) | 2001-11-20 | — | — | US | disclosed |
| EP-0923550-A1 | ACYLAMINOALKENYLENE-AMIDE DERIVATIVES AS NK1 AND NK2 ANTAGONISTS | Novartis AG (CH) | 1999-06-23 | — | — | EP | disclosed |
| WO-1998007694-A1 | ACYLAMINOALKENYLENE-AMIDE DERIVATIVES AS NK1 AND NK2 ANTAGONISTS | NOVARTIS AG (CH) | 1998-02-26 | — | — | WO | disclosed |