Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | THRB | P10828 | 1/20 | 0.57 |
| ▸ | STS | P08842 | 1/20 | 0.55 |
| ▸ | GPR119 | Q8TDV5 | 5/20 | 0.54 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.49 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.49 |
| ▸ | JAK2 | O60674 | 1/20 | 0.49 |
| ▸ | JAK1 | P23458 | 1/20 | 0.49 |
| ▸ | YAP1 | P46937 | 3/20 | 0.48 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8644404 | 0.93 | KDM4E (0.53) | KDM4EPKMSMN1; SMN2GAATHRB | |
| SCHEMBL27633116 | 0.87 | ALDH1A1 (0.57) | KDM4EPKMSMN1; SMN2STSGPR119 | |
| SCHEMBL6058749 | 0.84 | KDM4E (0.52) | KDM4EPKMSMN1; SMN2GAATHRB | |
| SCHEMBL3123967 | 0.84 | GAA (0.60) | KDM4EPKMSMN1; SMN2GAATHRB | |
| SCHEMBL3923737 | 0.83 | KDM4E (0.64) | KDM4EPKMSTSGPR119LMNA | |
| SCHEMBL4248138 | 0.82 | KDM4E (0.60) | KDM4EPKMSMN1; SMN2GAATHRB | |
| SCHEMBL1912705 | 0.82 | KDM4E (0.62) | KDM4EPKMSMN1; SMN2GAATHRB | |
| SCHEMBL8781628 | 0.81 | BRD3 (0.45) | KDM4EPKMSMN1; SMN2GAATHRB | |
| SCHEMBL8644744 | 0.81 | BRD3 (0.45) | KDM4EPKMSMN1; SMN2GAATHRB | |
| SCHEMBL13913655 | 0.80 | KDM4E (0.60) | KDM4EPKMSMN1; SMN2GAATHRB |
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-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 |