Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 2/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL27785547 | 0.83 | PKM (0.55) | PKMMAPTMEN1KMT2AKDM4E | |
| Ethoxycarbonyl Group SCHEMBL27743421 | 0.83 | ATM (0.62) | CYP2A6IMPDH2PKMMAPTMEN1 | |
| Ethoxycarbonyl Group SCHEMBL27533058 | 0.82 | CYP2A6 (0.44) | CYP2A6IMPDH2PKMMAPTMEN1 | |
| Ethoxycarbonyl Group SCHEMBL27552104 | 0.82 | CYP2A6 (0.44) | CYP2A6IMPDH2PKMMAPTMEN1 | |
| Ethoxycarbonyl Group SCHEMBL28031805 | 0.81 | NR4A2 (0.48) | IMPDH2PKMMAPTMEN1KMT2A | |
| Ethoxycarbonyl Group SCHEMBL27699034 | 0.80 | CCNT1 (0.43) | — | |
| Tert-Butyl Formate SCHEMBL27895342 | 0.80 | CYP2A6 (0.45) | CYP2A6IMPDH2MAPTMEN1KMT2A | |
| 3-Phenylindole SCHEMBL27761045 | 0.79 | IMPDH2 (0.49) | CYP2A6IMPDH2PKMMAPTMEN1 | |
| Ethoxycarbonyl Group SCHEMBL27785588 | 0.79 | GPR84 (0.53) | CYP2A6IMPDH2PKMMAPTMEN1 | |
| SCHEMBL429840 | 0.78 | ATM (0.54) | CYP2A6IMPDH2MAPTMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-101790313-A | Compound (I) | SMITHKLINE BEECHAM CORP | 2010-07-28 | — | — | CN | disclosed |
| CN-101563322-A | 1H-indole-2-carboxylic acid derivatives useful as PPAR modulators | SMITHKLINE BEECHAM CORPORAITON (US) | 2009-10-21 | — | — | CN | disclosed |