Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | FPR1 | P21462 | 2/20 | 0.39 |
| ▸ | FPR2 | P25090 | 2/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1772601 | 0.94 | ESR2 (0.41) | ESR1ESR2NPC1RAB9AKMT2A | |
| SCHEMBL1789393 | 0.92 | NPC1 (0.40) | ESR1ESR2NPC1RAB9AKMT2A | |
| SCHEMBL27914873 | 0.82 | NAMPT (0.49) | ESR1ESR2NPC1RAB9AKMT2A | |
| SCHEMBL1285604 | 0.81 | NR1H2 (0.63) | ESR2NPC1RAB9ATMEM97SIGMAR1 | |
| SCHEMBL22981196 | 0.81 | ESR1 (0.43) | ESR1ESR2NPC1RAB9AKMT2A | |
| SCHEMBL4010938 | 0.81 | ESR1 (0.43) | ESR1ESR2NPC1RAB9AKMT2A | |
| SCHEMBL27933360 | 0.79 | NPC1 (0.43) | ESR1ESR2NPC1RAB9AKMT2A | |
| SCHEMBL28369820 | 0.78 | AKR1C3 (0.52) | ESR1ESR2FPR1FPR2MAPT | |
| SCHEMBL16634622 | 0.77 | NAMPT (0.49) | ESR1ESR2NPC1RAB9AKMT2A | |
| SCHEMBL1773799 | 0.76 | ESR2 (0.65) | ESR1ESR2NPC1RAB9ATMEM97 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103209964-A | Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy | ABBVIE DEUTSCHLAND | 2013-07-17 | — | — | CN | disclosed |
| CN-101490001-A | Substituted phenylacetic acids as DP-2 antagonists | ICOS CORP (US) | 2009-07-22 | — | — | CN | disclosed |
| EP-2044017-A2 | SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS | ICOS CORPORATION (US) | 2009-04-08 | — | — | EP | disclosed |
| WO-2007146838-A2 | SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS | ICOS CORPORATION (US) | 2007-12-21 | — | — | WO | disclosed |