Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 1/20 | 0.51 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.51 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.51 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | KDM4A | O75164 | 1/20 | 0.49 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | STS | P08842 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9133233 | 0.89 | S1PR3 (0.62) | S1PR3ALDH1A1TSHRLMNATP53 | |
| SCHEMBL28152727 | 0.89 | S1PR3 (0.62) | S1PR3ALDH1A1TSHRLMNATP53 | |
| SCHEMBL10456235 | 0.85 | HSD17B10 (0.45) | S1PR3ALDH1A1TSHRKDM4EKDM4A | |
| SCHEMBL27816715 | 0.83 | CA12 (0.64) | S1PR3ALDH1A1TSHRLMNAKDM4E | |
| SCHEMBL15833742 | 0.83 | S1PR3 (0.55) | S1PR3ALDH1A1TSHRLMNATP53 | |
| SCHEMBL17883523 | 0.82 | ALDH1A1 (0.47) | S1PR3ALDH1A1KDM4EHSD17B10POLB | |
| SCHEMBL10581365 | 0.82 | CA12 (0.67) | ALDH1A1TSHRLMNATP53CYP3A4 | |
| SCHEMBL495935 | 0.82 | CA12 (0.67) | ALDH1A1TSHRLMNATP53CYP3A4 | |
| SCHEMBL13422476 | 0.82 | CA12 (0.67) | ALDH1A1TSHRLMNATP53CYP3A4 | |
| SCHEMBL31125339 | 0.82 | CA12 (0.67) | ALDH1A1TSHRLMNATP53CYP3A4 |
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-110152714-A | A kind of catalyst and its application method producing isobutyl amine and di-iso-butylmanice | 浙江建业化工股份有限公司 | 2019-08-23 | — | — | CN | disclosed |