Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | WDR5 | P61964 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.35 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.35 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 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 | |
|---|---|---|---|---|
| SCHEMBL16361430 | 0.64 | HDAC3 (0.50) | TSHRHDAC8ATM | |
| Phenanthrene SCHEMBL28634294 | 0.64 | HSD17B10 (0.86) | WDR5CYP1A2ALDH1A1TSHRHSD17B10 | |
| SCHEMBL4377802 | 0.64 | ALDH1A1 (0.85) | CYP1A2ALDH1A1TSHRHSD17B10CYP2A6 | |
| SCHEMBL5971471 | 0.63 | CYP1A2 (0.49) | KDM4EWDR5CYP1A2ALDH1A1TSHR | |
| SCHEMBL8564442 | 0.63 | ALDH1A1 (0.46) | KDM4ECYP1A2ALDH1A1TSHRHSD17B10 | |
| Phenanthrene SCHEMBL9994190 | 0.61 | CYP2A6 (0.92) | CYP1A2ALDH1A1TSHRHSD17B10CYP2A6 | |
| Phenanthrene SCHEMBL201780 | 0.61 | ALDH1A1 (0.92) | WDR5CYP1A2ALDH1A1TSHRHSD17B10 | |
| SCHEMBL8972474 | 0.60 | ALDH1A1 (0.48) | KDM4ECYP1A2ALDH1A1TSHRHSD17B10 | |
| Phenanthrene SCHEMBL2321409 | 0.59 | ALDH1A1 (0.86) | WDR5CYP1A2ALDH1A1TSHRHSD17B10 | |
| Phenanthrene SCHEMBL30702393 | 0.58 | ALDH1A1 (0.71) | KDM4EWDR5CYP1A2ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0850234-A1 | NOVEL HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF PAIN AND USE THEREOF | BIOCHEM PHARMA INC (CA) | 1998-07-01 | — | — | EP | claimed |
| WO-1997003978-A1 | NOVEL HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF PAIN AND USE THEREOF | BIOCHEM PHARMA INC. (CA) | 1997-02-06 | — | — | WO | claimed |