Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NRP1 | O14786 | 3/20 | 0.34 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.34 |
| ▸ | OGA | O60502 | 5/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.31 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL2659519 | 0.93 | NPC1 (0.33) | NPC1RAB9ANRP1DDR1OGA | |
| Trifluoroacetic Acid SCHEMBL27763028 | 0.90 | PDCD1 (0.34) | DDR1OGAACKR3 | |
| Trifluoroacetic Acid SCHEMBL2660948 | 0.90 | SLC2A1 (0.32) | OGAHDAC1SLC2A1FAAH | |
| Trifluoroacetic Acid SCHEMBL27763020 | 0.90 | SLC2A1 (0.32) | OGAALDH1A1HDAC1SLC2A1 | |
| Trifluoroacetic Acid SCHEMBL2659234 | 0.89 | MEN1 (0.37) | DDR1OGAPOLBALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL2659328 | 0.89 | OGA (0.32) | OGAHDAC1SLC2A1FAAH | |
| Trifluoroacetic Acid SCHEMBL2660327 | 0.88 | S1PR1 (0.32) | OGACYP2C9CYP2C19ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL27762858 | 0.86 | OGA (0.31) | OGASLC2A1 | |
| Trifluoroacetic Acid SCHEMBL2660120 | 0.83 | CCNT1 (0.30) | OGA | |
| Trifluoroacetic Acid SCHEMBL2659980 | 0.83 | — | — |
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-2074119-A1 | INDOLE COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2009-07-01 | — | — | EP | disclosed |
| WO-2008050821-A1 | INDOLE COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-05-02 | — | — | WO | disclosed |