Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.48 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8063627 | 0.90 | KMT2A (0.61) | KMT2ANPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL8307284 | 0.83 | TDP1 (0.50) | KMT2AALDH1A1SMN1; SMN2APPIDO1 | |
| SCHEMBL9414489 | 0.82 | SIGMAR1 (0.46) | RAB9AALDH1A1APP | |
| SCHEMBL8308762 | 0.81 | IDO1 (0.44) | KMT2AAPPIDO1HPGD | |
| SCHEMBL13905839 | 0.81 | HCRTR1 (0.44) | KMT2ANPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL9414462 | 0.78 | SIGMAR1 (0.45) | APP | |
| SCHEMBL12992270 | 0.78 | SIGMAR1 (0.45) | APP | |
| SCHEMBL12012244 | 0.78 | SLC6A2 (0.42) | ALDH1A1SMN1; SMN2APPIDO1CYP3A4 | |
| SCHEMBL9480021 | 0.78 | REN (0.44) | ALDH1A1SMN1; SMN2APPIDO1 | |
| SCHEMBL8311656 | 0.77 | HSD17B10 (0.39) | KMT2ANPC1RAB9AALDH1A1SMN1; SMN2 |
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-1075465-A1 | ARYLPHENYL-SUBSTITUTED CYCLIC KETO ENOLS | BAYER AG (DE) | 2001-02-14 | — | — | EP | disclosed |
| WO-1999055673-A1 | ARYLPHENYL-SUBSTITUTED CYCLIC KETO ENOLS | BAYER AKTIENGESELLSCHAFT (DE) | 1999-11-04 | — | — | WO | disclosed |