Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.66 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | PARP1 | P09874 | 2/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | CD274 | Q9NZQ7 | 4/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | HTR1A | P08908 | 1/20 | 0.56 |
| ▸ | MAOA | P21397 | 1/20 | 0.56 |
| ▸ | MAOB | P27338 | 1/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
| ▸ | HTR3A | P46098 | 2/20 | 0.53 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL8479110 | 0.89 | ALDH1A1 (0.62) | ALDH1A1KDM4EHSD17B10CYP1A2CYP2D6 | |
| SCHEMBL3536679 | 0.82 | CYP2C19 (0.69) | ALDH1A1KDM4EHSD17B10CYP1A2CYP2D6 | |
| SCHEMBL28624628 | 0.80 | KDM4E (1.00) | ALDH1A1KDM4EHSD17B10CYP1A2CYP2D6 | |
| SCHEMBL20982709 | 0.77 | HDAC6 (0.68) | ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19 | |
| SCHEMBL18845433 | 0.76 | CYP2C19 (0.78) | ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6015767 | 0.75 | POLB (0.60) | ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19 | |
| SCHEMBL14006091 | 0.75 | ALDH1A1 (0.61) | ALDH1A1KDM4EHSD17B10CYP1A2CYP2D6 | |
| SCHEMBL2760134 | 0.75 | KDM4E (0.74) | ALDH1A1KDM4EHSD17B10PARP1MAPT | |
| SCHEMBL30265188 | 0.75 | POLB (0.60) | ALDH1A1CYP1A2CYP2D6CYP2C19PARP1 | |
| SCHEMBL5419575 | 0.75 | CYP1A2 (0.65) | ALDH1A1CYP1A2CYP2D6CYP2C19PARP1 |
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-5985909-A | Cyclopropylindoles and their seco precursors, and their use as prodrugs | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 1999-11-16 | — | — | US | disclosed |
| EP-0850220-A1 | CYCLOPROPYLINDOLES AND THEIR SECO PRECURSORS, AND THEIR USE AS PRODRUGS | AUCKLAND DIVISION CANCER SOCIETY OF NEW ZEALAND INC. (NZ) | 1998-07-01 | — | — | EP | disclosed |
| WO-1997007097-A1 | CYCLOPROPYLINDOLES AND THEIR SECO PRECURSORS, AND THEIR USE AS PRODRUGS | AUCKLAND DIVISION CANCER SOCIETY OF NEW ZEALAND INC. (NZ) | 1997-02-27 | — | — | WO | disclosed |