Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.40 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.40 |
| ▸ | GSK3A | P49840 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27916014 | 0.88 | LMNA (0.35) | L3MBTL1KMT2APOLBGAAACHE | |
| SCHEMBL92331 | 0.85 | L3MBTL1 (0.56) | L3MBTL1SIGMAR1DDB1CRBNGSK3A | |
| Hydrochloric Acid SCHEMBL4768580 | 0.83 | L3MBTL1 (0.54) | L3MBTL1SIGMAR1DDB1CRBNGSK3A | |
| Bromide SCHEMBL28426487 | 0.83 | L3MBTL1 (0.54) | L3MBTL1SIGMAR1DDB1CRBNGSK3A | |
| Tert-Butyl Formate SCHEMBL27800165 | 0.83 | SMN1; SMN2 (0.45) | KMT2AMEN1CYP2D6CYP2C9CYP2C19 | |
| Tert-Butyl Formate SCHEMBL27798895 | 0.82 | TDP1 (0.38) | — | |
| Tert-Butyl Formate SCHEMBL27524789 | 0.81 | SIGMAR1 (0.66) | SIGMAR1KMT2AMEN1POLBCYP2C9 | |
| Tert-Butyl Formate SCHEMBL27915875 | 0.78 | KMT2A (0.54) | KMT2AMEN1HPGDACHE | |
| SCHEMBL10765650 | 0.78 | L3MBTL1 (0.59) | L3MBTL1SIGMAR1DDB1CRBNGSK3A | |
| Tert-Butyl Formate SCHEMBL27763171 | 0.78 | TDP1 (0.32) | — |
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-101952278-A | 3-alkyl-piperazine derivatives and uses thereof | HOFFMANN LA ROCHE | 2011-01-19 | — | — | CN | disclosed |