Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.34 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 3/20 | 0.34 |
| ▸ | CES2 | O00748 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | APAF1 | O14727 | 1/20 | 0.34 |
| ▸ | TERT | O14746 | 1/20 | 0.34 |
| ▸ | EED | O75530 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19654764 | 0.80 | CYP11B1 (0.39) | ALDH1A1KCNA5PARP1PARP10PARP11 | |
| SCHEMBL17571337 | 0.80 | CYP11B1 (0.39) | ALDH1A1KCNA5PARP1PARP10PARP11 | |
| SCHEMBL17571273 | 0.80 | CYP11B1 (0.39) | ALDH1A1KCNA5PARP1PARP10PARP11 | |
| SCHEMBL31284751 | 0.78 | LDHA (0.34) | ALDH1A1PARP10PARP11TP53MAPT | |
| SCHEMBL21132540 | 0.78 | KCNA5 (0.36) | ALDH1A1KCNA5PARP1PARP10PARP11 | |
| SCHEMBL5163204 | 0.78 | KDM1A (0.32) | ALDH1A1TP53MAPTKDM1A | |
| SCHEMBL9507986 | 0.78 | ALDH1A1 (0.38) | ALDH1A1PARP1KDM4EMEN1LMNA | |
| SCHEMBL10819305 | 0.78 | HDAC4 (0.37) | PDE7AHTR5AKDM1AHDAC4NOTUM | |
| SCHEMBL19415398 | 0.76 | KDM4E (0.35) | ALDH1A1PARP1PARP10PARP11CES1 | |
| SCHEMBL9770690 | 0.75 | ALDH1A1 (0.40) | ALDH1A1CES1CES2KDM4EMEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4987261-A | Diaminoindane derivatives | MITSUI TOATSU CHEMICALS, INC. (JP) | 1991-01-22 | — | — | US | disclosed |