Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.46 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | THRA | P10827 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Acetic Acid Butyl Ester SCHEMBL28559791 | 0.98 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2LMNAPOLBAPOBEC3A | |
| Acetic Acid Pentyl Ester SCHEMBL28576748 | 0.94 | ALDH1A1 (0.63) | ALDH1A1SMN1; SMN2LMNAPOLBAPOBEC3A | |
| Hexyl Acetate SCHEMBL28576833 | 0.93 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2LMNAPOLBAPOBEC3A | |
| Acetic Acid Butyl Ester SCHEMBL9273008 | 0.90 | ALDH1A1 (0.75) | ALDH1A1SMN1; SMN2LMNAPOLBAPOBEC3A | |
| Acetic Acid Butyl Ester SCHEMBL28312833 | 0.88 | ALDH1A1 (0.78) | ALDH1A1SMN1; SMN2LMNAPOLBAPOBEC3A | |
| Acetic Acid Butyl Ester SCHEMBL6910715 | 0.88 | ALDH1A1 (0.86) | ALDH1A1SMN1; SMN2LMNAPOLBAPOBEC3A | |
| Acetic Acid Butyl Ester SCHEMBL28187144 | 0.87 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2LMNAPOLBAPOBEC3A | |
| Acetic Acid Propyl Ester SCHEMBL8342423 | 0.86 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2LMNAPOLBAPOBEC3A | |
| Acetic Acid Butyl Ester SCHEMBL8003140 | 0.84 | ALDH1A1 (0.95) | ALDH1A1SMN1; SMN2LMNAPOLBATM | |
| Acetic Acid Butyl Ester SCHEMBL28037776 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-6210239-A | — | — | None | — | — | JP | disclosed |
| JP-H06210239-A | ANTIBACTERIAL DESIGN FILM AND ITS FORMATION | NIPPON MIZUSHIYORI GIKEN:KK | 1994-08-02 | — | — | JP | disclosed |