Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL31019397 | 0.84 | ALDH1A1 (0.69) | LDHAALDH1A1TSHRCCR2PLA2G10 | |
| SCHEMBL15466939 | 0.84 | ALDH1A1 (0.69) | ALDH1A1TSHRNR4A2KDM4EMAPT | |
| SCHEMBL5088290 | 0.77 | MAPT (0.55) | ALDH1A1TSHRKDM4EMAPTHSD17B10 | |
| SCHEMBL28411672 | 0.74 | ALDH1A1 (0.54) | ALDH1A1TSHRKDM4EMAPTHSD17B10 | |
| SCHEMBL3968965 | 0.74 | ALDH1A1 (0.54) | ALDH1A1TSHRKDM4EMAPTHSD17B10 | |
| SCHEMBL5086745 | 0.73 | ALDH1A1 (0.46) | ALDH1A1TSHRKDM4EMAPTHSD17B10 | |
| SCHEMBL70120 | 0.72 | TSHR (0.52) | ALDH1A1TSHRNR4A2KDM4EMAPT | |
| SCHEMBL28414606 | 0.72 | ALDH1A1 (0.51) | ALDH1A1TSHRKDM4EMAPTMTNR1A | |
| SCHEMBL2910623 | 0.71 | KDM4E (0.54) | ALDH1A1KDM4EMAPTHSD17B10SMN1; SMN2 | |
| SCHEMBL29834867 | 0.71 | ALDH1A1 (0.50) | ALDH1A1TSHREGFRKDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-118221685-A | Indoles as KRAS G12D inhibitors | 艾立康药业股份有限公司 | 2024-06-21 | — | — | CN | disclosed |