Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence |
|---|
| ▸ |
TACR1 |
P25103 |
16/20 |
0.88 |
| |
| ▸ |
PDE4A |
P27815 |
3/20 |
0.40 |
| |
| ▸ |
ROCK2 |
O75116 |
1/20 |
0.35 |
| |
| ▸ |
ROCK1 |
Q13464 |
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 |
|---|
![]() |
7-(3,5-Bis-Trifluoromethyl-Benzyl)-9-Methyl-5-P-Tolyl-8,9,10,11-Tetrahydro-7H-1,7,11A-Triaza-Cycloocta[B]Naphthalene-6,12-Dione (Atropisomeric Mix) SCHEMBL122948 |
0.94 |
TACR1 (1.00) |
TACR1PDE4A |
![]() |
7-(3,5-Bis-Trifluoromethyl-Benzyl)-9-Methyl-5-P-Tolyl-8,9,10,11-Tetrahydro-7H-1,7,11A-Triaza-Cycloocta[B]Naphthalene-6,12-Dione (Atropisomeric Mix) SCHEMBL6842007 |
0.94 |
TACR1 (1.00) |
TACR1PDE4A |
![]() |
7-(3,5-Bis-Trifluoromethyl-Benzyl)-9-Methyl-5-P-Tolyl-8,9,10,11-Tetrahydro-7H-1,7,11A-Triaza-Cycloocta[B]Naphthalene-6,12-Dione (Atropisomeric Mix) SCHEMBL29392596 |
0.94 |
TACR1 (1.00) |
TACR1PDE4A |
![]() |
7-(3,5-Bis-Trifluoromethyl-Benzyl)-9-Methyl-5-P-Tolyl-8,9,10,11-Tetrahydro-7H-1,7,11A-Triaza-Cycloocta[B]Naphthalene-6,12-Dione (Atropisomeric Mix) SCHEMBL29374670 |
0.94 |
TACR1 (1.00) |
TACR1PDE4A |
![]() |
7-(3,5-Bis-Trifluoromethyl-Benzyl)-9-Methyl-5-P-Tolyl-8,9,10,11-Tetrahydro-7H-1,7,11A-Triaza-Cycloocta[B]Naphthalene-6,12-Dione (Atropisomeric Mix) SCHEMBL2139943 |
0.94 |
TACR1 (1.00) |
TACR1PDE4A |
![]() |
SCHEMBL6794851 |
0.93 |
TACR1 (1.00) |
TACR1PDE4A |
![]() |
SCHEMBL7088808 |
0.93 |
TACR1 (1.00) |
TACR1PDE4A |
![]() |
SCHEMBL6801030 |
0.93 |
TACR1 (1.00) |
TACR1PDE4A |
![]() |
SCHEMBL6792823 |
0.89 |
TACR1 (1.00) |
TACR1PDE4A |
![]() |
SCHEMBL6796354 |
0.88 |
TACR1 (1.00) |
TACR1PDE4A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|
| EP-1145714-A1 |
DRUGS |
Takeda Chemical Industries, Ltd. (JP) |
2001-10-17 |
— |
— |
EP |
disclosed |