Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.41 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.41 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.40 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 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 | |
|---|---|---|---|---|
| SCHEMBL30345495 | 0.93 | MAOB (0.44) | MAOBHCAR2ALDH1A1LMNACYP2D6 | |
| SCHEMBL27802429 | 0.84 | AKR1B1 (0.48) | TSHRALDH1A1LMNACYP2C19KDM4E | |
| SCHEMBL27802435 | 0.84 | AKR1B1 (0.48) | TSHRALDH1A1LMNACYP2C19KDM4E | |
| Hydrochloric Acid SCHEMBL27864806 | 0.83 | ENPP2 (0.43) | TSHRENPP2HCAR2SMN1; SMN2ALDH1A1 | |
| SCHEMBL26695746 | 0.81 | HCAR2 (0.59) | EGFRHCAR2ALDH1A1FFAR1 | |
| SCHEMBL27549843 | 0.81 | NPSR1 (0.53) | MAOBHCAR2ALDH1A1LMNA | |
| SCHEMBL29018928 | 0.81 | AOC3 (0.51) | ACMSDMAOB | |
| SCHEMBL27556620 | 0.81 | HCAR2 (0.59) | EGFRHCAR2ALDH1A1FFAR1 | |
| SCHEMBL1233515 | 0.81 | MAOB (0.61) | MAOBHCAR2ALDH1A1LMNACYP2D6 | |
| SCHEMBL2555173 | 0.81 | MAOB (0.61) | MAOBHCAR2ALDH1A1LMNACYP2D6 |
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-102007098-B | Therapeutic substituted cyclopentanes | ALLERGAN INC | 2014-05-07 | — | — | CN | disclosed |
| CN-101107225-B | 12-aryl prostaglandin analogs | ALLERGAN INC | 2012-11-28 | — | — | CN | disclosed |
| CN-102007098-A | Therapeutic substituted cyclopentanes | ALLERGAN INC | 2011-04-06 | — | — | CN | disclosed |
| CN-101107225-A | 12-aryl prostaglandin analogs | ALLERGAN INC (US) | 2008-01-16 | — | — | CN | disclosed |