Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRIM24 | O15164 | 1/20 | 0.46 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | STAT1 | P42224 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27801242 | 0.98 | ALDH1A1 (0.47) | TRIM24TRIM33TDP1ALDH1A1SMN1; SMN2 | |
| Phenylpiperazine SCHEMBL27981600 | 0.85 | ADRB1 (0.62) | ALDH1A1HSD17B10TP53TSHRHTT | |
| Tert-Butyl Formate SCHEMBL28780380 | 0.85 | GPR119 (0.42) | TDP1ALDH1A1SMN1; SMN2HSD17B10MAPT | |
| Tert-Butyl Formate SCHEMBL27704475 | 0.83 | GPR119 (0.52) | TDP1ALDH1A1MAPTL3MBTL1GPR119 | |
| Formic Acid Methyl Ester SCHEMBL28163023 | 0.82 | ALDH1A1 (0.52) | TRIM24TRIM33ALDH1A1SMN1; SMN2HSD17B10 | |
| Tert-Butyl Formate SCHEMBL27967030 | 0.82 | ALDH1A1 (0.49) | TRIM24TRIM33TDP1ALDH1A1SMN1; SMN2 | |
| Tert-Butyl Formate SCHEMBL28126522 | 0.82 | ALDH1A1 (0.61) | TRIM24TRIM33TDP1ALDH1A1SMN1; SMN2 | |
| Tert-Butyl Formate SCHEMBL27886425 | 0.82 | NPC1 (0.54) | TRIM24TRIM33TDP1ALDH1A1SMN1; SMN2 | |
| Tert-Butyl Formate SCHEMBL28103948 | 0.81 | SMN1; SMN2 (0.52) | TRIM24TRIM33ALDH1A1SMN1; SMN2HSD17B10 | |
| Tert-Butyl Formate SCHEMBL28803867 | 0.78 | GPR119 (0.51) | TDP1ALDH1A1SMN1; SMN2L3MBTL1HPGD |
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-110167930-A | ROR gamma modulators | 百时美施贵宝公司 | 2019-08-23 | — | — | CN | disclosed |