Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | F2R | P25116 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5263526 | 0.81 | PBRM1 (0.43) | ALDH1A1HPGDLMNAPARP1TDP1 | |
| SCHEMBL5261947 | 0.79 | CA12 (0.47) | ALDH1A1L3MBTL1TDP1KDM4EKMT2A | |
| SCHEMBL311565 | 0.77 | PARP1 (0.46) | ALDH1A1HPGDL3MBTL1DRD2HTR2A | |
| SCHEMBL2857937 | 0.74 | GABRA1 (0.45) | ALDH1A1HTTPARP1F2REPHB4 | |
| SCHEMBL3947464 | 0.71 | TRPA1 (0.39) | ALDH1A1HPGDL3MBTL1LMNAHTT | |
| SCHEMBL442008 | 0.71 | TSHR (0.43) | ALDH1A1HPGDL3MBTL1LMNAHTT | |
| SCHEMBL2540273 | 0.70 | PARP1 (0.46) | ALDH1A1HPGDL3MBTL1LMNAHTT | |
| SCHEMBL30788037 | 0.70 | THRB (0.52) | ALDH1A1HPGDPARP1KDM4EMAPT | |
| SCHEMBL3713424 | 0.70 | THRB (0.52) | ALDH1A1HPGDPARP1KDM4EMAPT | |
| SCHEMBL689849 | 0.70 | CD44 (0.48) | ALDH1A1HPGDL3MBTL1DRD2HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1740551-A1 | HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR | Takeda Pharmaceutical Company Limited (JP) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005105760-A1 | HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-11-10 | — | — | WO | disclosed |