Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 4/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | FAAH | O00519 | 5/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 6/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17773305 | 0.85 | SMN1; SMN2 (0.59) | SMN1; SMN2TSHRHPGDCYP1A2CYP2C19 | |
| SCHEMBL11089953 | 0.84 | RAB9A (0.67) | SMN1; SMN2TSHRHPGDCYP1A2CYP2C19 | |
| SCHEMBL13387445 | 0.84 | FAAH (0.58) | SMN1; SMN2TSHRRAB9ANPC1FAAH | |
| SCHEMBL11089043 | 0.82 | HPGD (0.51) | SMN1; SMN2TSHRHPGDCYP1A2CYP2C19 | |
| SCHEMBL17766325 | 0.81 | RAB9A (0.52) | SMN1; SMN2TSHRHPGDCYP1A2CYP2C19 | |
| SCHEMBL14270321 | 0.80 | MMP13 (0.49) | SMN1; SMN2TSHRHPGDCYP1A2CYP2C19 | |
| SCHEMBL8590341 | 0.79 | CYP1A2 (0.55) | SMN1; SMN2TSHRCYP1A2CYP2C19FAAH | |
| SCHEMBL9267385 | 0.79 | ACHE (0.47) | SMN1; SMN2TSHRHPGDCYP1A2CYP2C19 | |
| SCHEMBL15738567 | 0.79 | FAAH (0.53) | FAAHACHE | |
| SCHEMBL17864829 | 0.78 | TSHR (0.50) | SMN1; SMN2TSHRHPGDCYP1A2CYP2C19 |
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-3037410-B1 | METHOD FOR PRODUCING M-XYLYLENE DIISOCYANATE | MITSUI CHEMICALS INC (JP) | 2018-04-11 | — | — | EP | disclosed |