Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | PKLR | P30613 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.41 |
| ▸ | TUBB | P07437 | 1/20 | 0.41 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.41 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.41 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.41 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.41 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.41 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.41 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.41 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.41 |
| ▸ | TUBA1A | Q71U36 | 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 | |
|---|---|---|---|---|
| SCHEMBL29601682 | 0.83 | ALDH3A1 (0.47) | ALDH1A1PKMPTGS1PTGS2NOD1 | |
| SCHEMBL29601246 | 0.80 | P2RX7 (0.57) | ALDH1A1HTTTSHRLMNAMAPT | |
| SCHEMBL29601397 | 0.77 | P2RX7 (0.35) | — | |
| SCHEMBL30020920 | 0.73 | MET (0.47) | ALDH1A1LMNAMAPTKDM4EMEN1 | |
| SCHEMBL29601170 | 0.69 | ALDH1A1 (0.35) | ALDH1A1TSHRMAPT | |
| SCHEMBL29601519 | 0.67 | CA1 (0.37) | ALDH1A1LMNAPKMMEN1KMT2A | |
| SCHEMBL29601285 | 0.66 | ALDH1A1 (0.43) | ALDH1A1TSHRLMNARAB9AKDM4E | |
| SCHEMBL19204899 | 0.65 | P2RX7 (0.61) | ALDH1A1HTTLMNAPKMRAPGEF4 | |
| SCHEMBL12904686 | 0.65 | TUBB4A (0.66) | ALDH1A1HTTTSHRLMNAMAPT | |
| SCHEMBL21883518 | 0.64 | MET (0.46) | ALDH1A1MAPTKDM4EMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3997089-A1 | CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF | University Of Virginia Patent Foundation (US) | 2022-05-18 | — | — | EP | disclosed |