Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 3/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.39 |
| ▸ | THRB | P10828 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 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 | |
|---|---|---|---|---|
| SCHEMBL3700953 | 0.82 | CYP4F2 (0.42) | PKMCYP4F2CYP4A11THRBHTT | |
| SCHEMBL28071202 | 0.78 | PKM (0.39) | PKMCYP4F2CYP4A11THRBHTT | |
| SCHEMBL18430092 | 0.77 | PKM (0.43) | PKMCYP4F2CYP4A11THRBHTT | |
| Hydrochloric Acid SCHEMBL16667998 | 0.76 | PKM (0.38) | PKMCYP4F2CYP4A11THRBHTT | |
| SCHEMBL6371782 | 0.74 | PKM (0.42) | SMN1; SMN2PKMCYP4F2CYP4A11THRB | |
| SCHEMBL12654680 | 0.72 | PKM (0.43) | PKMCYP4F2CYP4A11THRBHTT | |
| SCHEMBL10154087 | 0.72 | PKM (0.43) | PKMCYP4F2CYP4A11THRBHTT | |
| SCHEMBL31581538 | 0.72 | CYP1A2 (0.46) | SMN1; SMN2KDM4ECYP1A2CYP3A4TSHR | |
| SCHEMBL16668362 | 0.72 | TDP1 (0.47) | PKMTHRBHTTKDM4EMEN1 | |
| SCHEMBL8783129 | 0.72 | PKM (0.43) | PKMCYP4F2CYP4A11THRBHTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5977027-A | NITROGEN CONTAINING CYCLIC COMPOUND | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1999-11-02 | — | — | US | disclosed |
| US-5834401-A | WIDE VARIETY OF NITROGEN CONTAINING HETEROCYCLES, CLAIMED COMPOUND IS A PIPERIDONE DERIVATIVE OF ISOBUTYRAMIDE | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1998-11-10 | — | — | US | disclosed |
| EP-0747352-A1 | CYCLIC NITROGENOUS COMPOUND AND HERBICIDE | NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) | 1996-12-11 | — | — | EP | disclosed |