Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 5/20 | 0.38 |
| ▸ | MAOB | P27338 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | SNCA | P37840 | 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 | |
|---|---|---|---|---|
| SCHEMBL4243 | 0.86 | — | — | |
| SCHEMBL28385336 | 0.84 | TSHR (0.45) | MAOAMAOBTSHRCYP3A4LMNA | |
| SCHEMBL29184894 | 0.84 | TSHR (0.45) | MAOAMAOBTSHRCYP3A4LMNA | |
| SCHEMBL745687 | 0.81 | — | — | |
| SCHEMBL16569812 | 0.79 | PYCR1 (0.46) | MAOAMAOBTSHRCYP3A4LMNA | |
| SCHEMBL457921 | 0.78 | — | — | |
| Bicarbonate SCHEMBL27692050 | 0.77 | CES2 (0.46) | MAOAMAOBTSHRCYP3A4LMNA | |
| Propiolic Acid SCHEMBL17554270 | 0.74 | CES2 (0.43) | MAOAMAOBTSHRCYP3A4LMNA | |
| Diphenylmethane SCHEMBL11592089 | 0.74 | CALM1 (0.67) | TSHRCYP3A4LMNAALDH1A1CALM1 | |
| SCHEMBL5252412 | 0.73 | PYCR1 (0.53) | TSHRCYP3A4LMNAPYCR1ALDH1A1 |
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-0937040-B1 | N-SUBSTITUTED 2-CYANOPYRROLIDINES | NOVARTIS AG (CH) | 2004-07-21 | — | — | EP | claimed |