Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | BDKRB1 | P46663 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | NPY1R | P25929 | 1/20 | 0.33 |
| ▸ | NPY2R | P49146 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL990199 | 0.96 | NPC1 (0.38) | MAOAMAOBNPC1BDKRB1KDM4E | |
| SCHEMBL989898 | 0.84 | PDK2 (0.39) | MAOAMAOBNPC1BDKRB1KDM4E | |
| SCHEMBL990550 | 0.83 | KDM4E (0.38) | MAOAMAOBKDM4EPOLBDRD2 | |
| SCHEMBL989560 | 0.83 | F10 (0.42) | NPC1KDM4ERAB9A | |
| SCHEMBL989752 | 0.82 | CYP3A4 (0.37) | MAOAMAOBNPC1BDKRB1KDM4E | |
| SCHEMBL989604 | 0.82 | CYP3A4 (0.40) | MAOAMAOBNPC1BDKRB1KDM4E | |
| SCHEMBL990311 | 0.82 | ALDH1A1 (0.40) | NPC1ALDH1A1RAB9AATM | |
| SCHEMBL988386 | 0.81 | RAB9A (0.37) | MAOAMAOBNPC1BDKRB1KDM4E | |
| SCHEMBL989639 | 0.81 | SLC6A2 (0.46) | MAOAMAOBESR1ESR2SLC6A2 | |
| SCHEMBL989642 | 0.81 | NPC1 (0.41) | NPC1BDKRB1POLBRAB9AATM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8653100-B2 | Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy | ABBVIE INC. (US) | 2014-02-18 | — | — | US | disclosed |
| EP-2271625-B1 | TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | ABBOTT GMBH & CO KG (DE) | 2012-09-12 | — | — | EP | disclosed |
| WO-2009121872-A2 | TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | ABBOTT GMBH & CO. KG (DE) | 2009-10-08 | — | — | WO | disclosed |