Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | MMP1 | P03956 | 3/20 | 0.49 |
| ▸ | MMP13 | P45452 | 3/20 | 0.49 |
| ▸ | LDHA | P00338 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | MMP9 | P14780 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CTBP2 | P56545 | 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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL21750113 | 0.83 | ALDH1A1 (0.55) | ALDH1A1THRBATMTAAR1MMP1 | |
| SCHEMBL5753481 | 0.82 | ALDH1A1 (0.50) | ALDH1A1TAAR1SMN1; SMN2CYP3A4NPC1 | |
| SCHEMBL5753471 | 0.82 | ALDH1A1 (0.50) | ALDH1A1TAAR1SMN1; SMN2CYP3A4NPC1 | |
| Ammonia Solution, Strong SCHEMBL21750112 | 0.77 | ALDH1A1 (0.49) | ALDH1A1THRBATMTAAR1MMP1 | |
| SCHEMBL11404883 | 0.76 | ALDH1A1 (0.46) | ALDH1A1ATMTAAR1LDHASMN1; SMN2 | |
| SCHEMBL10786742 | 0.76 | ALDH1A1 (0.55) | ALDH1A1TAAR1SMN1; SMN2TP53CYP3A4 | |
| Fumaric Acid SCHEMBL8867443 | 0.76 | ALDH1A1 (0.48) | ALDH1A1THRBATMTAAR1MMP1 | |
| SCHEMBL28910702 | 0.76 | THRB (0.51) | THRBATMSMN1; SMN2HTTCYP3A4 | |
| Maleic Acid SCHEMBL8867414 | 0.76 | ALDH1A1 (0.48) | ALDH1A1THRBATMTAAR1MMP1 | |
| SCHEMBL3801397 | 0.75 | LDHA (0.53) | MMP1MMP13LDHASMN1; SMN2HTT |
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-110167934-A | Monocycle and spiro-compound containing cyclobutane and containing azetidine as α V integrin inhibitor | 百时美施贵宝公司 | 2019-08-23 | — | — | CN | disclosed |