Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | CTSD | P07339 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6548610 | 0.82 | SRC (0.52) | CTSDCYP2D6SRCTSHRHDAC3 | |
| Ammonia Solution, Strong SCHEMBL11510402 | 0.80 | SRC (0.50) | CTSDCYP2D6SRCTSHRHDAC3 | |
| SCHEMBL6776714 | 0.80 | CYP2D6 (0.44) | CTSDCYP2D6SRCTSHRHDAC3 | |
| SCHEMBL29054565 | 0.79 | CYP2D6 (0.61) | EPHX1CTSDCYP2D6SRCTSHR | |
| SCHEMBL7391810 | 0.79 | ALOX5 (0.47) | EPHX1CYP2D6SRCTSHRLMNA | |
| SCHEMBL1091960 | 0.77 | EPHX1 (0.48) | EPHX1CTSDCYP2D6SRCTSHR | |
| SCHEMBL8926506 | 0.75 | MMP8 (0.53) | TSHRSMN1; SMN2SLC6A3 | |
| SCHEMBL4330443 | 0.75 | CES2 (0.50) | EPHX1CTSDCYP2D6SRCTSHR | |
| SCHEMBL6947260 | 0.74 | CYP2D6 (0.48) | CTSDCYP2D6SRCTSHRHDAC3 | |
| SCHEMBL11022387 | 0.74 | CYP2D6 (0.54) | EPHX1CTSDCYP2D6SRCTSHR |
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-5663365-A | Process for the preparation of pyrazolones | JAPAN HYDRAZINE CO., LTD. (JP) | 1997-09-02 | — | — | US | disclosed |
| US-4082740-A | QUATERNARY BASIC AZODYESTUFFS CONTAINING A PROPENYL AMINO RADICAL | HOECHST AKTIENGESELLSCHAFT (DT) | 1978-04-04 | — | — | US | disclosed |