Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | S100A4 | P26447 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | PTPRC | P08575 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MGMT | P16455 | 1/20 | 0.35 |
| ▸ | FBP1 | P09467 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL2500048 | 0.86 | ALDH1A1 (0.41) | NPC1RAB9AALDH1A1TDP1CYP3A4 | |
| SCHEMBL27756639 | 0.85 | NPC1 (0.40) | NPC1RAB9AALDH1A1TDP1MAPT | |
| SCHEMBL15861931 | 0.85 | SMN1; SMN2 (0.40) | NPC1RAB9AALDH1A1TDP1CYP3A4 | |
| SCHEMBL27756441 | 0.85 | MAPT (0.39) | NPC1RAB9AALDH1A1TDP1MAPT | |
| SCHEMBL11901676 | 0.85 | ALDH1A1 (0.45) | NPC1RAB9AALDH1A1TDP1MAPT | |
| SCHEMBL2234399 | 0.85 | ALDH1A1 (0.53) | NPC1RAB9AALDH1A1TDP1CYP3A4 | |
| SCHEMBL7565618 | 0.84 | HSPB1 (0.47) | NPC1RAB9AALDH1A1TDP1MAPT | |
| SCHEMBL240574 | 0.83 | TDP1 (0.52) | NPC1RAB9AALDH1A1TDP1CYP3A4 | |
| SCHEMBL2500102 | 0.80 | TSHR (0.40) | NPC1RAB9AALDH1A1TDP1MAPT | |
| SCHEMBL13418991 | 0.78 | TDP1 (0.59) | NPC1RAB9AALDH1A1TDP1CYP3A4 |
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-101374799-B | Process for preparing substituted biphenyls | BASF SE | 2012-05-23 | — | — | CN | disclosed |
| CN-101374799-A | Process for preparing substituted biphenyls | BASF SE (DE) | 2009-02-25 | — | — | CN | disclosed |