Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.42 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CASP6 | P55212 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CALM1 | P0DP23 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7038976 | 0.85 | MAPT (0.49) | HTTS1PR1S1PR3POLBALDH1A1 | |
| SCHEMBL697888 | 0.85 | HTT (0.61) | HTTS1PR1S1PR3POLBALDH1A1 | |
| SCHEMBL18433012 | 0.82 | KMT2A (0.43) | L3MBTL1POLBALDH1A1LMNAKMT2A | |
| SCHEMBL11470313 | 0.81 | HTT (0.52) | HTTS1PR1S1PR3L3MBTL1S1PR2 | |
| SCHEMBL7043742 | 0.80 | BIRC5 (0.49) | HTTS1PR1S1PR3S1PR2LPAR2 | |
| SCHEMBL15929473 | 0.79 | MEN1 (0.58) | HTTL3MBTL1ALDH1A1LMNAKMT2A | |
| SCHEMBL8845989 | 0.79 | S1PR1 (0.49) | HTTS1PR1S1PR3S1PR2LPAR2 | |
| SCHEMBL18433013 | 0.78 | MEN1 (0.53) | HTTS1PR1ALDH1A1LMNAKMT2A | |
| SCHEMBL7922046 | 0.78 | HPGD (0.48) | HTTL3MBTL1POLBCASP6ALDH1A1 | |
| SCHEMBL10996676 | 0.78 | S1PR1 (0.51) | HTTS1PR1S1PR3S1PR2LPAR2 |
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-6627651-B1 | Exhibiting preventive and therapeutic effects against HIV infectious diseases wherein R1 is an optionally substituted five- or six-membered ring group; X1 is a free valency or the like; W is a divalent group and inhibitors of HIV (human | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-09-30 | — | — | US | disclosed |
| EP-1182195-A1 | CYCLIC COMPOUNDS AND USES THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2002-02-27 | — | — | EP | disclosed |