Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.36 |
| ▸ | FEN1 | P39748 | 4/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 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 | |
|---|---|---|---|---|
| SCHEMBL12206594 | 0.87 | KDM1A (0.56) | KDM1ACYP11B1CYP11B2NPC1RAB9A | |
| SCHEMBL27263461 | 0.86 | RAB9A (0.52) | KDM1ACYP11B1CYP11B2NPC1RAB9A | |
| SCHEMBL27262963 | 0.85 | CASP3 (0.55) | KDM1ANPC1RAB9ASMN1; SMN2CASP3 | |
| SCHEMBL27263353 | 0.84 | CASP3 (0.54) | KDM1ANPC1RAB9ASMN1; SMN2CASP3 | |
| SCHEMBL27262965 | 0.84 | CASP3 (0.54) | KDM1ANPC1RAB9ASMN1; SMN2CASP3 | |
| SCHEMBL27262488 | 0.84 | CASP3 (0.54) | KDM1ANPC1RAB9ASMN1; SMN2CASP3 | |
| SCHEMBL27262428 | 0.84 | CASP3 (0.54) | KDM1ANPC1RAB9ASMN1; SMN2CASP3 | |
| SCHEMBL27262509 | 0.82 | KDM1A (0.42) | KDM1ANPC1DGAT1ALDH1A1TP53 | |
| SCHEMBL12988505 | 0.81 | KDM1A (0.49) | KDM1ACYP11B1CYP11B2DGAT1FEN1 | |
| SCHEMBL9419277 | 0.80 | CCR1 (0.47) | KDM1ACYP11B1CYP11B2DGAT1FEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1023699-C | Difluoromethyl compounds | MERCK PATENT GMBH (DE) | 1994-02-09 | — | — | CN | disclosed |
| CN-1039797-A | difluoromethyl compound | MERCK PATENT GMBH (DE) | 1990-02-21 | — | — | CN | disclosed |