Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | MITF | O75030 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.33 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4454721 | 0.76 | KMT2A (0.44) | TDP1KMT2AMAPTCYP3A4HTT | |
| SCHEMBL16397521 | 0.74 | MAPT (0.48) | KMT2AMAPTHTTLMNACYP2C9 | |
| SCHEMBL6871299 | 0.71 | CYP19A1 (0.54) | TSHRALDH1A1TDP1KMT2ACES2 | |
| Ethane SCHEMBL3002447 | 0.69 | MAPT (0.59) | TSHRTDP1KMT2AMAPTCYP3A4 | |
| SCHEMBL366365 | 0.69 | MAPT (0.58) | TSHRTDP1KMT2AMAPTCYP3A4 | |
| SCHEMBL21603504 | 0.69 | ALDH1A1 (0.48) | TSHRALDH1A1TDP1CYP3A4SMN1; SMN2 | |
| SCHEMBL3347421 | 0.67 | ALDH1A1 (0.47) | TSHRALDH1A1TDP1KMT2AMAPT | |
| Hydrochloric Acid SCHEMBL23198120 | 0.67 | MAPT (0.56) | TSHRTDP1KMT2AMAPTCYP3A4 | |
| SCHEMBL27571888 | 0.66 | CES2 (0.47) | TSHRALDH1A1TDP1MAPTCYP3A4 | |
| SCHEMBL2381586 | 0.66 | TSHR (0.54) | TSHRALDH1A1TDP1KMT2AMAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103097359-B | Compounds as microsomal prostaglandin E2 synthase-1 inhibitors | 贝林格尔.英格海姆国际有限公司 | 2016-08-17 | — | — | CN | disclosed |