Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALM1 | P0DP23 | 3/20 | 0.55 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | MMP1 | P03956 | 1/20 | 0.50 |
| ▸ | MMP7 | P09237 | 1/20 | 0.50 |
| ▸ | MMP8 | P22894 | 1/20 | 0.50 |
| ▸ | MMP12 | P39900 | 1/20 | 0.50 |
| ▸ | MMP13 | P45452 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL11220458 | 0.94 | CALM1 (0.57) | CALM1TAAR1CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL6061837 | 0.81 | CYP3A4 (0.50) | CYP3A4ALDH1A1CYP1A2CYP2C19HSD17B10 | |
| SCHEMBL2781797 | 0.81 | CA12 (0.54) | CYP3A4ALDH1A1CYP1A2CYP2C19SMN1; SMN2 | |
| SCHEMBL8188347 | 0.81 | CA12 (0.54) | CYP3A4ALDH1A1CYP1A2CYP2C19SMN1; SMN2 | |
| SCHEMBL108087 | 0.81 | TAAR1 (0.77) | CALM1TAAR1CYP3A4ALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL27510965 | 0.80 | CA12 (0.53) | CYP3A4ALDH1A1CYP1A2CYP2C19SMN1; SMN2 | |
| Fluoride SCHEMBL27399354 | 0.80 | PKM (0.54) | CYP3A4ALDH1A1SMN1; SMN2KDM4EGAA | |
| SCHEMBL5749606 | 0.78 | TAAR1 (0.54) | CALM1TAAR1CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL11583429 | 0.77 | LMNA (0.56) | ALDH1A1CYP1A2POLBSMN1; SMN2TP53 | |
| SCHEMBL8604814 | 0.76 | CALM1 (0.70) | CALM1TAAR1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7071191-B2 | Non-imidazole aryloxypiperidines | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2006-07-04 | — | — | US | disclosed |