Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 1/20 | 0.51 |
| ▸ | DAGLA | Q9Y4D2 | 2/20 | 0.46 |
| ▸ | XDH | P47989 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | CSF1R | P07333 | 1/20 | 0.40 |
| ▸ | RET | P07949 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7340177 | 0.90 | MPO (0.48) | MPODAGLAXDHCYP3A4RAB9A | |
| SCHEMBL7294735 | 0.78 | DAGLA (0.46) | MPODAGLARAB9ASMN1; SMN2LMNA | |
| SCHEMBL7301655 | 0.76 | CYP3A4 (0.58) | CYP3A4RAB9ASMN1; SMN2LMNAKMT2A | |
| SCHEMBL1735989 | 0.73 | MAPT (0.55) | DAGLAXDHRAB9ASMN1; SMN2LMNA | |
| SCHEMBL30831206 | 0.72 | SMN1; SMN2 (0.61) | DAGLAXDHRAB9ASMN1; SMN2LMNA | |
| SCHEMBL27203418 | 0.72 | DAGLA (0.57) | DAGLAXDHCYP3A4RAB9ASMN1; SMN2 | |
| SCHEMBL1901781 | 0.72 | SMN1; SMN2 (0.61) | DAGLAXDHRAB9ASMN1; SMN2LMNA | |
| SCHEMBL24450061 | 0.71 | SMYD3 (0.50) | SMYD3 | |
| SCHEMBL29688264 | 0.70 | AURKA (0.59) | DAGLAXDHCYP3A4RAB9ASMN1; SMN2 | |
| SCHEMBL828618 | 0.70 | AURKA (0.59) | DAGLAXDHCYP3A4RAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0492136-A2 | Retroviral protease inhibitors derived from 3-chloro-2-chloromethyl-1-propene | AMERICAN CYANAMID COMPANY (US) | 1992-07-01 | — | — | EP | disclosed |