Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 4/20 | 0.50 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.50 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 6/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13322696 | 0.86 | NCF1 (0.50) | NCF1ADRB2PDE10ABCHECHRNB2 | |
| SCHEMBL13354913 | 0.78 | NCF1 (0.54) | NCF1ADRB2PDE10ACHRNB2CHRNA4 | |
| SCHEMBL29974103 | 0.75 | ADRB2 (0.50) | NCF1ADRB2PDE10AHPGD | |
| SCHEMBL25292523 | 0.75 | MAOB (0.46) | NCF1ADRB2PDE10ABCHE | |
| SCHEMBL31145260 | 0.75 | MAOB (0.46) | NCF1ADRB2PDE10ABCHE | |
| SCHEMBL21781663 | 0.69 | GRM5 (0.54) | BCHEGRM5 | |
| SCHEMBL31423816 | 0.68 | NCF1 (0.51) | NCF1ADRB2CHRNB2CHRNA4ADRB1 | |
| SCHEMBL900231 | 0.67 | NCF1 (1.00) | NCF1ADRB2ADRB1ALDH1A1HPGD | |
| SCHEMBL29936658 | 0.67 | PTK2 (0.67) | NCF1ADRB2ALDH1A1HPGDHTR2C | |
| SCHEMBL30041391 | 0.67 | NCF1 (1.00) | NCF1ADRB2ADRB1ALDH1A1HPGD |
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-2078003-B1 | ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF | MERCK SHARP & DOHME (US) | 2017-03-08 | — | — | EP | disclosed |