Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.46 |
| ▸ | WNT3A | P56704 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.44 |
| ▸ | TBXAS1 | P24557 | 7/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10568471 | 1.00 | TDP1 (0.52) | TDP1CTNNB1WNT3ACYP19A1CYP11B2 | |
| SCHEMBL6421667 | 0.81 | KMT2A (0.50) | TDP1KMT2ACYP2D6 | |
| SCHEMBL6421671 | 0.81 | KMT2A (0.50) | TDP1KMT2ACYP2D6 | |
| SCHEMBL4630812 | 0.81 | MTNR1A (0.48) | TDP1CYP19A1CYP11B2TBXAS1CHRNB2 | |
| SCHEMBL6419179 | 0.78 | CYP19A1 (0.55) | CYP19A1CYP11B2TBXAS1TBXA2RKMT2A | |
| SCHEMBL6419131 | 0.78 | CYP19A1 (0.55) | CYP19A1CYP11B2TBXAS1TBXA2RKMT2A | |
| SCHEMBL28961178 | 0.74 | CYP19A1 (0.66) | TDP1CTNNB1WNT3ACYP19A1CYP11B2 | |
| SCHEMBL8699447 | 0.74 | TBXAS1 (0.68) | TBXAS1TBXA2R | |
| SCHEMBL8699446 | 0.74 | TBXAS1 (0.68) | TBXAS1TBXA2R | |
| SCHEMBL10566764 | 0.73 | TDP1 (0.52) | TDP1CTNNB1WNT3ACYP19A1CYP11B2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4831034-A | 4-benzylpiperazines useful as neuroleptics | RHONE-POULENC SANTE (FR) | 1989-05-16 | — | — | US | disclosed |