Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.67 |
| ▸ | RAB9A | P51151 | 4/20 | 0.53 |
| ▸ | IDO1 | P14902 | 1/20 | 0.50 |
| ▸ | METAP2 | P50579 | 1/20 | 0.50 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | ATR | Q13535 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.45 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.45 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.43 |
| ▸ | NCOA1 | Q15788 | 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 | |
|---|---|---|---|---|
| SCHEMBL5375659 | 0.84 | MAP2K4 (0.52) | CYP1A2CYP2C9 | |
| SCHEMBL11401007 | 0.82 | CYP1A2 (0.59) | CYP1A2CYP2C9RAB9AIDO1METAP2 | |
| SCHEMBL22052709 | 0.82 | ALDH1A1 (0.64) | CYP1A2CYP2C9RAB9AIDO1METAP2 | |
| SCHEMBL10891948 | 0.81 | NR1H2 (0.71) | CYP1A2CYP2C9RAB9ATP53MAPT | |
| SCHEMBL1436121 | 0.80 | NR1H2 (0.61) | CYP1A2CYP2C9RAB9ATP53HDAC3 | |
| SCHEMBL6268106 | 0.80 | CYP1A2 (0.56) | CYP1A2CYP2C9RAB9AIDO1METAP2 | |
| SCHEMBL12449558 | 0.80 | KIF11 (0.47) | CYP1A2CYP2C9RAB9AMAPTHDAC3 | |
| SCHEMBL16877130 | 0.78 | CYP1A2 (0.55) | CYP1A2CYP2C9RAB9AIDO1METAP2 | |
| SCHEMBL6268102 | 0.78 | CYP1A2 (0.55) | CYP1A2CYP2C9RAB9AIDO1METAP2 | |
| SCHEMBL3766697 | 0.78 | RAB9A (0.73) | CYP1A2CYP2C9RAB9AIDO1METAP2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3318557-A2 | QUINOLONE COMPOUND | Otsuka Pharmaceutical Co., Ltd. (JP) | 2018-05-09 | — | — | EP | disclosed |
| WO-2013029548-A1 | QUINOLONE COMPOUND | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2013-03-07 | — | — | WO | disclosed |
| WO-2011058149-A1 | TRICYCLIC PYRAZOL AMINE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-05-19 | — | — | WO | disclosed |