Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A2 | P43354 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | STAT6 | P42226 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MITF | O75030 | 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 | |
|---|---|---|---|---|
| SCHEMBL2777419 | 0.87 | NR4A2 (0.49) | NR4A2ALDH1A1LMNAGPBAR1GAA | |
| SCHEMBL2778056 | 0.85 | NR4A2 (0.47) | NR4A2ALDH1A1LMNAGPBAR1GAA | |
| SCHEMBL985642 | 0.74 | ALDH1A1 (0.43) | ALDH1A1GPBAR1GAACYP1A2CYP3A4 | |
| SCHEMBL982774 | 0.74 | GPBAR1 (0.41) | ALDH1A1LMNAGPBAR1GAACYP1A2 | |
| SCHEMBL3602720 | 0.70 | ALDH1A1 (0.59) | ALDH1A1GAACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL980864 | 0.69 | GPBAR1 (0.42) | ALDH1A1LMNAGPBAR1GAACYP1A2 | |
| SCHEMBL981418 | 0.69 | ALDH1A1 (0.42) | ALDH1A1LMNAGPBAR1GAACYP1A2 | |
| SCHEMBL29158183 | 0.68 | GPBAR1 (0.59) | ALDH1A1GPBAR1GAACYP1A2CYP3A4 | |
| SCHEMBL29158182 | 0.68 | GPBAR1 (0.59) | ALDH1A1GPBAR1GAACYP1A2CYP3A4 | |
| SCHEMBL2781955 | 0.68 | NR4A2 (0.52) | NR4A2ALDH1A1GPBAR1TSHRMAPT |
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-2257545-A1 | PYRROLIDINYL DERIVATIVES AND USES THEREOF | F. Hoffmann-La Roche AG (CH) | 2010-12-08 | — | — | EP | disclosed |
| WO-2009115427-A1 | PYRROLIDINYL DERIVATIVES AND USES THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-24 | — | — | WO | disclosed |