Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.57 |
| ▸ | RECQL | P46063 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5697344 | 0.91 | ALDH1A1 (0.67) | ALDH1A1HPGDSMN1; SMN2RECQLNPC1 | |
| SCHEMBL6689158 | 0.87 | ALDH1A1 (0.74) | ALDH1A1HPGDSMN1; SMN2RECQLNPC1 | |
| SCHEMBL14044502 | 0.83 | ALDH1A1 (0.63) | ALDH1A1HPGDSMN1; SMN2RECQLNPC1 | |
| SCHEMBL6855309 | 0.80 | PDK1 (0.53) | ALDH1A1HPGDSMN1; SMN2RECQLNPC1 | |
| SCHEMBL25077974 | 0.79 | ALDH1A1 (0.59) | ALDH1A1HPGDSMN1; SMN2RECQLNPC1 | |
| SCHEMBL29473466 | 0.79 | NPC1 (0.55) | ALDH1A1HPGDSMN1; SMN2RECQLNPC1 | |
| SCHEMBL6857852 | 0.79 | NPC1 (0.88) | ALDH1A1HPGDSMN1; SMN2RECQLNPC1 | |
| SCHEMBL6858071 | 0.78 | CYP1A2 (0.56) | ALDH1A1HPGDSMN1; SMN2RECQLNPC1 | |
| SCHEMBL6851008 | 0.78 | RAB9A (0.64) | ALDH1A1SMN1; SMN2RECQLNPC1RAB9A | |
| SCHEMBL3412160 | 0.77 | ALDH1A1 (0.61) | ALDH1A1HPGDSMN1; SMN2RECQLNPC1 |
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-6737193-B2 | ACTIVE MATERIALS IN THE POSITIVE ELECTRODES OF BATTERIES. NOVEL METHODS FOR PREPARING THE TETRAKETOPIPERAZINE UNIT-CONTAINING COMPOUNDS INCLUDE: (I) REACTING AN OXALYL HALIDE AND AN OXAMIDE, AND ADDING WATER OR AN AQUEOUS ALKALI | IM&T RESEARCH, INC. | 2004-05-18 | — | — | US | disclosed |
| US-20030148188-A1 | Active materials in the positive electrodes of batteries. Novel methods for preparing the tetraketopiperazine unit-containing compounds include: (i) reacting an oxalyl halide and an oxamide, and adding water or an aqueous alkali | IM&T RESEARCH, INC. | 2003-08-07 | — | — | US | disclosed |