Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 6/20 | 0.49 |
| ▸ | CCR5 | P51681 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CCR3 | P51677 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL4777983 | 0.84 | OPRM1 (0.48) | OPRM1CCR5LMNAKDM4EGAA | |
| Trifluoroacetic Acid SCHEMBL4773894 | 0.79 | CCR5 (0.55) | OPRM1CCR5LMNAKDM4EGAA | |
| SCHEMBL6691355 | 0.79 | ALDH1A1 (0.46) | LMNAKDM4EHRH3TP53MAPT | |
| SCHEMBL7142421 | 0.79 | ALDH1A1 (0.46) | LMNAKDM4EHRH3TP53MAPT | |
| SCHEMBL16836177 | 0.76 | POLB (0.43) | TP53MEN1KMT2AALDH1A1JAK2 | |
| SCHEMBL16836174 | 0.76 | POLB (0.43) | TP53MEN1KMT2AALDH1A1JAK2 | |
| SCHEMBL7455496 | 0.75 | OPRM1 (0.58) | OPRM1CCR5LMNAKDM4EGAA | |
| SCHEMBL4775520 | 0.73 | GAA (0.57) | OPRM1CCR5LMNAKDM4EGAA | |
| SCHEMBL4773843 | 0.72 | OPRM1 (0.49) | OPRM1CCR5LMNAKDM4EGAA | |
| Trifluoroacetic Acid SCHEMBL7163436 | 0.72 | OPRM1 (0.49) | OPRM1CCR5LMNAKDM4EGAA |
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-6562978-B1 | N-(3-(4-(4-(Aminocarbonyl)benzyl)-1-piperidinyl)propyl)-N-(3, 4-dichlorophenyl)-1-(methylsulfonyl)-4-piperidinecarboxamide or a salt thereof for treatment of AIDS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-05-13 | — | — | US | disclosed |