Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 4/20 | 0.35 |
| ▸ | TDO2 | P48775 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 3/20 | 0.33 |
| ▸ | MAOB | P27338 | 3/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL688212 | 0.85 | CES2 (0.38) | NPC1RAB9ANPSR1LMNATSHR | |
| SCHEMBL8589226 | 0.82 | ALOX15 (0.40) | TSHRCYP2C9ARMEN1ALDH1A1 | |
| SCHEMBL2082910 | 0.82 | MEN1 (0.41) | NPC1RAB9ALMNATSHRMEN1 | |
| SCHEMBL20577786 | 0.81 | KCNQ2 (0.33) | ARHTTMEN1ALDH1A1KMT2A | |
| SCHEMBL1259292 | 0.79 | ESR1 (0.43) | LMNAARMEN1ALDH1A1HPGD | |
| SCHEMBL29251015 | 0.79 | MTNR1A (0.33) | IDO1 | |
| SCHEMBL28920195 | 0.78 | SOS1 (0.31) | — | |
| SCHEMBL21351910 | 0.78 | LTC4S (0.38) | NPC1RAB9ALMNATSHRCYP1A2 | |
| SCHEMBL17257958 | 0.77 | POLB (0.37) | IDO1NPSR1LMNACYP1A2CYP2D6 | |
| SCHEMBL26621379 | 0.77 | HDAC1 (0.39) | ARALDH1A1KMT2A |
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-7879878-B2 | such as {2-[({[7-(cyclohexylamino)-6-fluoro-4-oxo-1-[(3S)-tetrahydrofuran-3-yl]-1,4-dihydroquinolin-3-yl}carbonyl)amino]ethyl}phosphonic acid, used as platelet aggregation inhibitor and purinergic receptor (P2Y12) inhibitors; therapy for circulatory diseases involving thrombosis via platelet aggregation | ASTELLAS PHARMA INC. (JP) | 2011-02-01 | — | — | US | disclosed |