Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.41 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | APP | P05067 | 2/20 | 0.38 |
| ▸ | AGXT | P21549 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL686527 | 0.89 | CYP2A6 (0.48) | CYP2A6ASIC3LOXL2MGLLBCL2L1 | |
| SCHEMBL29604746 | 0.89 | CYP2A6 (0.48) | CYP2A6ASIC3LOXL2MGLLBCL2L1 | |
| SCHEMBL2972310 | 0.87 | CYP2A6 (0.47) | CYP2A6ASIC3LOXL2MGLLBCL2L1 | |
| Anthracene SCHEMBL17604412 | 0.70 | ALDH1A1 (0.42) | CYP2A6CA2CA9CA1CA7 | |
| Naphthalene SCHEMBL2367740 | 0.69 | CYP2A6 (0.57) | CYP2A6CA2CA9CA1CA7 | |
| Naphthalene SCHEMBL15463693 | 0.69 | CYP2A6 (0.57) | CYP2A6CA2CA9CA1CA7 | |
| Thiophene SCHEMBL28169992 | 0.68 | ALDH1A1 (0.46) | CYP2A6CA2CA9CA1CA7 | |
| Benz(B)Anthracene SCHEMBL783813 | 0.68 | ALDH1A1 (0.46) | CYP2A6CA2CA9CA1CA7 | |
| SCHEMBL6651277 | 0.67 | CYP2A6 (0.48) | CYP2A6ASIC3LOXL2MGLLBCL2L1 | |
| SCHEMBL10045306 | 0.67 | CYP2A6 (0.48) | CYP2A6ASIC3LOXL2MGLLBCL2L1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6515002-B2 | 4-(4-(1-phenyl-5-propylpyrazol4-yl)(1,3-thiazol-2-yl))-5 -methylthiothiophene-2-carboxamidine, for example; complement inhibitors; treating tissue damage, inflammation, or autoimmune diseases | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2003-02-04 | — | — | US | disclosed |