Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.70 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.70 |
| ▸ | HTR1A | P08908 | 1/20 | 0.70 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | TOP2A | P11388 | 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 | |
|---|---|---|---|---|
| SCHEMBL9121129 | 0.86 | SLC6A2 (0.63) | SLC6A2SLC6A4HTR1AADRA2AKMT2A | |
| SCHEMBL9121692 | 0.85 | SLC6A2 (0.62) | SLC6A2SLC6A4HTR1AADRA2AKMT2A | |
| Tertatolol SCHEMBL49635 | 0.82 | HTR1A (1.00) | SLC6A2SLC6A4HTR1AADRA2AKMT2A | |
| Tertatolol SCHEMBL6513139 | 0.82 | HTR1A (1.00) | SLC6A2SLC6A4HTR1AADRA2AKMT2A | |
| Tertatolol SCHEMBL49634 | 0.82 | HTR1A (1.00) | SLC6A2SLC6A4HTR1AADRA2AKMT2A | |
| Tertatolol SCHEMBL23234262 | 0.81 | HTR1A (0.98) | SLC6A2SLC6A4HTR1AADRA2AKMT2A | |
| Tertatolol SCHEMBL388069 | 0.81 | HTR1A (0.98) | SLC6A2SLC6A4HTR1AADRA2AKMT2A | |
| Tertatolol SCHEMBL365413 | 0.81 | HTR1A (0.98) | SLC6A2SLC6A4HTR1AADRA2AKMT2A | |
| Tertatolol SCHEMBL1649964 | 0.80 | HTR1A (0.96) | SLC6A2SLC6A4HTR1AADRA2AKMT2A | |
| SCHEMBL9123064 | 0.79 | HTR1A (0.67) | SLC6A2SLC6A4HTR1AADRA2AKMT2A |
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-0163237-A2 | Di- and tri-peptidal renin inhibitors | MERCK & CO. INC. (US) | 1985-12-04 | — | — | EP | claimed |
| EP-0546115-A1 | PEPTIDES CONTAINING AMINO-POLYOLS AS TRANSITION-STATE MIMICS | THE UPJOHN COMPANY (US) | 1993-06-16 | — | — | EP | disclosed |