Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1131746 | 0.86 | ESR1 (0.49) | ESR1ESR2KMT2AALDH1A1CYP3A4 | |
| SCHEMBL14648205 | 0.84 | LMNA (0.45) | ESR1ESR2MEN1KMT2AALDH1A1 | |
| SCHEMBL14648305 | 0.81 | CYP2D6 (0.44) | ESR1ESR2MEN1KMT2AALDH1A1 | |
| SCHEMBL14648255 | 0.80 | SLC6A4 (0.44) | ESR1ESR2MEN1KMT2AALDH1A1 | |
| SCHEMBL14648171 | 0.80 | NPC1 (0.42) | ESR1ESR2MEN1KMT2AALDH1A1 | |
| SCHEMBL14648217 | 0.80 | IDO1 (0.50) | ESR1ESR2MEN1KMT2AALDH1A1 | |
| SCHEMBL8615388 | 0.80 | PTGS2 (0.49) | ESR1ESR2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL14648281 | 0.79 | LMNA (0.38) | ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL14648184 | 0.79 | MAPT (0.52) | MEN1KMT2AALDH1A1CYP3A4CES2 | |
| SCHEMBL14648182 | 0.78 | LMNA (0.42) | ALDH1A1CYP3A4CYP2C9CYP2C19HPGD |
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-104620137-A | High refractive index ophthalmic device materials with reduced tack | NOVARTIS AG | 2015-05-13 | — | — | CN | claimed |
| CN-104620137-A | High refractive index ophthalmic device materials with reduced tack | NOVARTIS AG | 2015-05-13 | — | — | CN | disclosed |