Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 5/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.32 |
| ▸ | GMNN | O75496 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Isobutanol SCHEMBL28071126 | 0.96 | ALDH1A1 (0.46) | ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10 | |
| Isobutanol SCHEMBL7219927 | 0.95 | ALDH1A1 (0.55) | ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10 | |
| Isobutanol SCHEMBL27200593 | 0.93 | ALDH1A1 (0.58) | ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10 | |
| Isobutanol SCHEMBL4228213 | 0.91 | ALDH1A1 (0.61) | ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10 | |
| Butanol SCHEMBL5344990 | 0.91 | ALDH1A1 (0.61) | ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10 | |
| 2-Pentanol SCHEMBL11307981 | 0.89 | ALDH1A1 (0.48) | ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10 | |
| Butanol SCHEMBL6321983 | 0.88 | ALDH1A1 (0.58) | ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10 | |
| Butanol SCHEMBL5880957 | 0.88 | ALDH1A1 (0.58) | ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10 | |
| Butanol SCHEMBL1259057 | 0.88 | ALDH1A1 (0.65) | ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10 | |
| Butanol SCHEMBL9778184 | 0.88 | ALDH1A1 (0.65) | ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10 |
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-105970298-A | Method for preparing mesoscopic scale line-shaped organic crystal | 上海理工大学 | 2016-09-28 | — | — | CN | claimed |
| CN-105970298-A | Method for preparing mesoscopic scale line-shaped organic crystal | 上海理工大学 | 2016-09-28 | — | — | CN | disclosed |