Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MMP12 | P39900 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 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 | |
|---|---|---|---|---|
| SCHEMBL6646153 | 0.85 | NAMPT (0.47) | CYP19A1ALDH1A1SMN1; SMN2MMP12MMP13 | |
| SCHEMBL22444679 | 0.83 | CYP19A1 (0.44) | CYP19A1ALDH1A1SMN1; SMN2MMP12MMP13 | |
| Hydrochloric Acid SCHEMBL7205435 | 0.83 | NAMPT (0.46) | CYP19A1ALDH1A1SMN1; SMN2MMP12MMP13 | |
| SCHEMBL21855665 | 0.83 | CYP3A4 (0.44) | ALDH1A1SMN1; SMN2NPC1RAB9ALMNA | |
| SCHEMBL7056381 | 0.82 | TSHR (0.53) | ALDH1A1SMN1; SMN2MMP12NPC1RAB9A | |
| SCHEMBL21959944 | 0.81 | MEN1 (0.42) | SMN1; SMN2NPC1RAB9AMAPTNAMPT | |
| SCHEMBL17783704 | 0.80 | ROCK2 (0.44) | CYP19A1ALDH1A1SMN1; SMN2NAMPTTSHR | |
| SCHEMBL27496396 | 0.80 | MMP12 (0.51) | CYP19A1SMN1; SMN2MMP12MMP13RAB9A | |
| SCHEMBL5349016 | 0.76 | ACACB (0.54) | ALDH1A1NPC1RAB9ALMNAMAPT | |
| SCHEMBL742552 | 0.76 | TDP1 (0.50) | CYP19A1ALDH1A1LMNAMAPTMAPK1 |
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-6294549-B1 | COMPOUNDS USEFUL FOR INHIBITING RESTENOSIS, ANGIOGENESIS, ATHEROSCLEROSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, INFLAMMATION OR TUMOR GROWTH. | MERCK & CO., INC. | 2001-09-25 | — | — | US | disclosed |
| US-5952306-A | INHIBITING THE BINDING OF FIBRINOGEN TO BLOOD PLATELETS AND INHIBITING THE AGGREGATION OF BLOOD PLATELETS; INHIBITING OSTEOCLAST CELLULAR ADHESION TO BONE SURFACES | MERCK & CO., INC. (US) | 1999-09-14 | — | — | US | disclosed |