Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.39 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.38 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2090458 | 0.82 | TAAR1 (0.56) | TAAR1KMT2ACNR2GPR55HSPA5 | |
| SCHEMBL29477327 | 0.82 | TAAR1 (0.56) | TAAR1KMT2ACNR2GPR55HSPA5 | |
| SCHEMBL16225686 | 0.81 | LIPG (0.50) | LIPGKMT2AHPGDLMNA | |
| SCHEMBL29956554 | 0.81 | LIPG (0.50) | LIPGKMT2AHPGDLMNA | |
| SCHEMBL29116248 | 0.80 | LIPG (0.46) | LIPGKMT2ALMNAALDH1A1 | |
| SCHEMBL29772212 | 0.79 | TAAR1 (0.54) | TAAR1KMT2ACNR2GPR55HSPA5 | |
| SCHEMBL11200954 | 0.79 | TAAR1 (0.54) | TAAR1KMT2ACNR2GPR55HSPA5 | |
| SCHEMBL15329551 | 0.79 | ALDH1A1 (0.45) | LIPGKMT2AHPGDLMNAALDH1A1 | |
| SCHEMBL25625118 | 0.75 | CA1 (0.45) | LIPGTAAR1LMNA | |
| SCHEMBL2558583 | 0.75 | LIPG (0.44) | LIPGKMT2AENPP2LMNAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7049306-B2 | Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4. | ELAN PHARMACEUTICALS, INC. (US) | 2006-05-23 | — | — | US | disclosed |
| US-6911439-B2 | Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2005-06-28 | — | — | US | disclosed |