Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.44 |
| ▸ | MPL | P40238 | 6/20 | 0.43 |
| ▸ | CTRC | Q99895 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | PTPRA | P18433 | 1/20 | 0.39 |
| ▸ | PTPRB | P23467 | 1/20 | 0.39 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | STAT6 | P42226 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | DNASE1L3 | Q13609 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10593663 | 0.87 | CYP2D6 (0.51) | CYP2D6CTRB1MPLCTRCCYP1A2 | |
| SCHEMBL2856243 | 0.82 | CYP2D6 (0.57) | CYP2D6CTRB1MPLCTRCCYP1A2 | |
| SCHEMBL30996433 | 0.80 | CYP2D6 (0.66) | CYP2D6CTRB1MPLCTRCCYP1A2 | |
| SCHEMBL3213538 | 0.80 | CYP2D6 (0.66) | CYP2D6CTRB1MPLCTRCCYP1A2 | |
| SCHEMBL3262066 | 0.80 | CYP2D6 (0.66) | CYP2D6CTRB1MPLCTRCCYP1A2 | |
| SCHEMBL11131209 | 0.78 | CYP2D6 (0.64) | CYP2D6CTRB1MPLCTRCCYP1A2 | |
| SCHEMBL5033007 | 0.78 | CYP2D6 (0.64) | CYP2D6CTRB1MPLCTRCHPGD | |
| SCHEMBL8675478 | 0.78 | MPL (0.64) | CYP2D6CTRB1MPLCTRCCYP1A2 | |
| SCHEMBL11433398 | 0.77 | MPL (0.52) | CYP2D6MPLCTRCCYP1A2HIF1A | |
| SCHEMBL29051492 | 0.77 | CYP2D6 (0.62) | CYP2D6CTRB1MPLCTRCCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4224248-A | Process for the depyrophorization of pyrophoric metal catalysts and uses thereof | BAYER AKTIENGESELLSCHAFT (DE) | 1980-09-23 | — | — | US | disclosed |
| US-4176092-A | TREATMENT WITH AN ORGANIC NITRO OR A NITROSO COMPOUND | BAYER AKTIENGESELLSCHAFT (DE) | 1979-11-27 | — | — | US | disclosed |