Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | ACHE | P22303 | 3/20 | 0.52 |
| ▸ | BCHE | P06276 | 2/20 | 0.52 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | GBA1 | P04062 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11251566 | 0.93 | KMT2A (0.68) | KMT2AACHEBCHEITGB3ITGA2B | |
| Trifluoroacetic Acid SCHEMBL7734277 | 0.89 | KMT2A (0.48) | KMT2AACHEBCHEITGB3ITGA2B | |
| Trifluoroacetic Acid SCHEMBL7732466 | 0.85 | KMT2A (0.45) | KMT2AACHEBCHEITGB3ITGA2B | |
| Trifluoroacetic Acid SCHEMBL7736001 | 0.81 | NPC1 (0.50) | KMT2AITGB3ITGA2B | |
| SCHEMBL13814798 | 0.81 | BCHE (0.67) | KMT2AACHEBCHEKDM4EL3MBTL1 | |
| SCHEMBL11395507 | 0.81 | NPC1 (0.51) | KMT2AACHE | |
| SCHEMBL28946798 | 0.78 | KMT2A (0.69) | KMT2AACHEBCHEKDM4EL3MBTL1 | |
| SCHEMBL7493236 | 0.78 | KMT2A (0.69) | KMT2AACHEBCHEKDM4EL3MBTL1 | |
| Trifluoroacetic Acid SCHEMBL29890740 | 0.78 | ITGB3 (0.49) | ITGB3ITGA2B | |
| SCHEMBL17709648 | 0.78 | KMT2A (0.50) | KMT2AACHEBCHEITGB3ITGA2B |
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-6399619-B1 | PREVENTION AND TREATMENT OF AIDS AND VIRAL INFECTION BY HIV | MERCK & CO., INC. | 2002-06-04 | — | — | US | disclosed |