Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.70 |
| ▸ | SIGMAR1 | Q99720 | 9/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL29945375 | 0.95 | CHRM2 (0.67) | CHRM2SIGMAR1CYP1A2CYP2D6TSHR | |
| SCHEMBL29802812 | 0.88 | CA12 (0.64) | CHRM2SIGMAR1CYP1A2CYP2D6TSHR | |
| SCHEMBL30141723 | 0.86 | CHRM2 (0.92) | CHRM2CYP1A2CYP2D6TSHRCA12 | |
| SCHEMBL30141751 | 0.84 | CHRM2 (0.96) | CHRM2CYP1A2CYP2D6TSHRCA12 | |
| SCHEMBL11069595 | 0.84 | CHRM2 (0.96) | CHRM2CYP1A2CYP2D6TSHRCA12 | |
| SCHEMBL11073153 | 0.84 | CHRM2 (0.96) | CHRM2CYP1A2CYP2D6TSHRCA12 | |
| SCHEMBL13278276 | 0.82 | CHRM2 (0.85) | CHRM2CYP1A2CYP2D6TSHRCA12 | |
| SCHEMBL11835637 | 0.81 | CHRM2 (0.76) | CHRM2CYP1A2CYP2D6TSHRCA12 | |
| SCHEMBL28161942 | 0.81 | ALDH1A1 (0.55) | SIGMAR1ALDH1A1MAOA | |
| SCHEMBL11014192 | 0.79 | MEN1 (0.71) | CHRM2CYP1A2CYP2D6TSHRALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0683772-A1 | RETROVIRAL PROTEASE INHIBITING COMPOUNDS | ABBOTT LABORATORIES (US) | 1995-11-29 | — | — | EP | disclosed |
| EP-0683772-A4 | RETROVIRAL PROTEASE INHIBITING COMPOUNDS. | ABBOTT LAB (US) | 1995-09-27 | — | — | EP | disclosed |