Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.65 |
| ▸ | CA1 | P00915 | 4/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | CA7 | P43166 | 2/20 | 0.53 |
| ▸ | CA9 | Q16790 | 2/20 | 0.53 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | TACR1 | P25103 | 2/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL29076646 | 0.86 | TSHR (0.71) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL29062355 | 0.86 | TSHR (0.58) | TSHRCA1CA2CA7CA9 | |
| Alcohol SCHEMBL9721767 | 0.84 | TSHR (0.75) | TSHRCA1CA2CA7CA9 | |
| Propane SCHEMBL11584021 | 0.84 | TSHR (0.83) | TSHRCA1CA2CA7CA9 | |
| Hydrogen Peroxide SCHEMBL28758135 | 0.83 | TSHR (0.94) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL26087124 | 0.83 | LMNA (0.62) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL4570490 | 0.82 | CA1 (0.68) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL5516631 | 0.82 | CA1 (0.68) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL2717725 | 0.82 | CA1 (0.68) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL27713879 | 0.81 | TSHR (0.52) | TSHRCA1CA2CA7CA9 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0618926-B1 | NEW PEPTIDE DERIVATIVES | ASTRA AB (SE) | 2000-03-01 | — | — | EP | disclosed |
| US-5955433-A | DERIVATIVES OF B-CYCLOHEXYLALANINE-PROLINE-AGMATINE ARE ADMINISTERED AS ANTICOAGULANTS | ASTRA AKTIEBOLAG (SE) | 1999-09-21 | — | — | US | disclosed |
| US-5747460-A | Method of treatment and prophylaxis of venous thrombosis | ASTRA AKTIEBOLAG (SE) | 1998-05-05 | — | — | US | disclosed |
| US-5736521-A | ADMINISTERING AMINO ACID COMPOUND | ASTRA AKTIEBOLAG (SE) | 1998-04-07 | — | — | US | disclosed |
| US-5614499-A | ANTICOAGULANTS; TREATMENT OR PROPHYLAXIS OF THROMBOSIS | ASTRA AKTIEBOLAG (SE) | 1997-03-25 | — | — | US | disclosed |
| EP-0618926-A1 | NEW PEPTIDE DERIVATIVES | Astra Aktiebolag (SE) | 1994-10-12 | — | — | EP | disclosed |
| WO-1993011152-A1 | NEW PEPTIDE DERIVATIVES | AKTIEBOLAGET ASTRA (SE) | 1993-06-10 | — | — | WO | disclosed |