Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | MGAM | O43451 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SI | P14410 | 1/20 | 0.35 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.35 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.33 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | MMP12 | P39900 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3177567 | 0.87 | ALDH1A1 (0.69) | ALDH1A1TSHRHSD17B10TDP1LMNA | |
| Water SCHEMBL28479233 | 0.83 | ALDH1A1 (0.64) | ALDH1A1TSHRHSD17B10TDP1LMNA | |
| SCHEMBL28011497 | 0.83 | ALDH1A1 (0.64) | ALDH1A1TSHRHSD17B10TDP1LMNA | |
| SCHEMBL28282185 | 0.83 | ALDH1A1 (0.64) | ALDH1A1TSHRHSD17B10TDP1LMNA | |
| SCHEMBL8836617 | 0.83 | ALDH1A1 (0.64) | ALDH1A1TSHRHSD17B10TDP1LMNA | |
| Acetic Acid SCHEMBL29208862 | 0.80 | ALDH1A1 (0.60) | ALDH1A1TSHRHSD17B10TDP1LMNA | |
| SCHEMBL28197985 | 0.80 | ALDH1A1 (0.60) | ALDH1A1TSHRHSD17B10TDP1LMNA | |
| SCHEMBL6950834 | 0.79 | ALDH1A1 (0.56) | ALDH1A1TSHRHSD17B10MGAMGAA | |
| SCHEMBL8295 | 0.79 | — | — | |
| SCHEMBL359792 | 0.79 | ALDH1A1 (0.50) | ALDH1A1TSHRHSD17B10TDP1MGAM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001077366-A1 | POSITIVE SELECTION METHOD, COMPOUNDS, HOST CELLS AND USES THEREOF | CUBIST PHARMACEUTICALS, INC. (US) | 2001-10-18 | — | — | WO | claimed |
| WO-2001077366-A1 | POSITIVE SELECTION METHOD, COMPOUNDS, HOST CELLS AND USES THEREOF | CUBIST PHARMACEUTICALS, INC. (US) | 2001-10-18 | — | — | WO | disclosed |
| CN-1054983-A | The preparation method of PENEM ester | ERBA CARLO SPA (IT) | 1991-10-02 | — | — | CN | disclosed |