Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | MIF | P14174 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | TNKS | O95271 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28748955 | 0.82 | ALDH1A1 (0.41) | HCAR2CA1CA2CA4NFKB1 | |
| SCHEMBL6296284 | 0.80 | ALDH1A1 (0.38) | ALDH1A1SMN1; SMN2NPC1RAB9AMAPK1 | |
| SCHEMBL6296286 | 0.80 | ALDH1A1 (0.38) | ALDH1A1SMN1; SMN2NPC1RAB9AMAPK1 | |
| SCHEMBL12078966 | 0.78 | CA1 (0.50) | HCAR2CA1CA2CA4NFKB1 | |
| SCHEMBL9756876 | 0.77 | HCAR2 (0.47) | HCAR2CA1CA2CA4NFKB1 | |
| SCHEMBL9756874 | 0.77 | HCAR2 (0.47) | HCAR2CA1CA2CA4NFKB1 | |
| SCHEMBL13245829 | 0.77 | ALDH1A1 (0.37) | ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL7776471 | 0.74 | RARA (0.48) | HDAC1ALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL5283644 | 0.73 | HCAR2 (0.47) | HCAR2HDAC3TNKSHDAC4HDAC1 | |
| SCHEMBL5283646 | 0.73 | HCAR2 (0.47) | HCAR2HDAC3TNKSHDAC4HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-100381566-C | Recombinant methods and materials for producing epothilone and derivatives thereof | KOSAN BIOSCIENCES INC (US) | 2008-04-16 | — | — | CN | disclosed |
| CN-1333820-A | Recombinant methods and materials for producing epothilone and eopthilone derivatives | KOSAN BIOSCIENCES INC (US) | 2002-01-30 | — | — | CN | disclosed |
| US-6303593-B1 | FOR THERAPY HUMAN IMMUNODEFICIENCY VIRUS INFECTION, AQUIRED IMMUNODEFICIENCY SYNDROME (AIDS), INFLAMMATORY AND IMMUNOREGULATORY DISORDER OR DISEASE, ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS | MERCK & CO., INC. | 2001-10-16 | — | — | US | disclosed |
| WO-2000051608-A1 | 3-THIENYL AND 3-FURANYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | disclosed |