Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.82 |
| ▸ | TSHR | P16473 | 2/20 | 0.82 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 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 | |
|---|---|---|---|---|
| SCHEMBL30261877 | 0.91 | ALDH1A1 (1.00) | ALDH1A1TSHRHPGDTDP1NPC1 | |
| SCHEMBL69613 | 0.91 | ALDH1A1 (1.00) | ALDH1A1TSHRHPGDTDP1NPC1 | |
| (Chloromethyl)Benzene SCHEMBL27794516 | 0.89 | ALDH1A1 (0.62) | ALDH1A1TSHRTDP1NPC1RAB9A | |
| SCHEMBL10587696 | 0.84 | ALDH1A1 (0.68) | ALDH1A1TSHRHPGDSIGMAR1NPC1 | |
| SCHEMBL10569740 | 0.80 | ALDH1A1 (0.79) | ALDH1A1TSHRHPGDNPC1RAB9A | |
| SCHEMBL40607 | 0.79 | ALDH1A1 (0.60) | ALDH1A1TSHRHPGDSIGMAR1TDP1 | |
| SCHEMBL7191430 | 0.79 | ALDH1A1 (0.64) | ALDH1A1TSHRHPGDSIGMAR1TDP1 | |
| SCHEMBL5186181 | 0.77 | ALDH1A1 (0.74) | ALDH1A1TSHRHPGDSIGMAR1TDP1 | |
| Nitrobenzene SCHEMBL11242644 | 0.77 | TSHR (0.69) | ALDH1A1TSHRHPGDSMN1; SMN2LMNA | |
| (Chloromethyl)Benzene SCHEMBL27395825 | 0.77 | TSHR (0.63) | ALDH1A1TSHRHPGDTDP1NPC1 |
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-0150169-B1 | A PROCESS FOR PREPARING SUBSTITUTED BENZOTRICHLORIDE COMPOUNDS | Monsanto Company (US) | 1987-11-11 | — | — | EP | claimed |