Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.45 |
| ▸ | TTR | P02766 | 1/20 | 0.45 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | PGR | P06401 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8493569 | 0.84 | TSHR (0.57) | TSHRALDH1A1POLBALOX15PBRM1 | |
| SCHEMBL7286463 | 0.81 | TSHR (0.53) | TSHRALDH1A1ALOX15PBRM1CES2 | |
| SCHEMBL23372785 | 0.81 | ALDH1A1 (0.57) | TSHRALDH1A1POLBALOX15PBRM1 | |
| SCHEMBL9952673 | 0.80 | TSHR (0.52) | TSHRALDH1A1POLBPBRM1MEN1 | |
| SCHEMBL11381922 | 0.80 | PKM (0.59) | TSHRALDH1A1POLBALOX15PBRM1 | |
| SCHEMBL9895707 | 0.79 | POLB (0.47) | TSHRALDH1A1POLBALOX15LMNA | |
| SCHEMBL9716024 | 0.77 | ALDH1A1 (0.57) | TSHRALDH1A1POLBALOX15PBRM1 | |
| SCHEMBL29904615 | 0.76 | TSHR (1.00) | TSHRALDH1A1POLBALOX15PBRM1 | |
| SCHEMBL97298 | 0.76 | TSHR (1.00) | TSHRALDH1A1POLBALOX15PBRM1 | |
| SCHEMBL10905308 | 0.76 | TSHR (0.68) | TSHRALDH1A1POLBALOX15PBRM1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4479950-A | Aroylaminoacid disulfides | USV PHARMACEUTICAL CORPORATION (US) | 1984-10-30 | — | — | US | disclosed |
| US-4440941-A | Aroyl-aminoacids, amides and esters thereof | USV PHARMACEUTICAL CORPORATION (US) | 1984-04-03 | — | — | US | disclosed |
| US-4347246-A | Antihypertensive lactams | USV PHARMACEUTICAL CORPORATION (US) | 1982-08-31 | — | — | US | disclosed |
| EP-0054936-A1 | Aroyl amino acids | USV PHARMACEUTICAL CORPORATION (US) | 1982-06-30 | — | — | EP | disclosed |