Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.40 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | TIPARP | Q7Z3E1 | 1/20 | 0.40 |
| ▸ | PARP16 | Q8N5Y8 | 1/20 | 0.40 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.36 |
| ▸ | TYMS | P04818 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL29722045 | 0.80 | ALDH1A1 (0.46) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1506607 | 0.80 | ALDH1A1 (0.46) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2810982 | 0.75 | LDHA (0.54) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL17506426 | 0.74 | SMARCA2 (0.40) | IDO1PARP15PARP14PARP10TIPARP | |
| SCHEMBL14689223 | 0.74 | CYP2A6 (0.53) | MAPTCYP2C9CYP2C19NPC1RAB9A | |
| SCHEMBL27775498 | 0.72 | ALDH1A1 (0.42) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2770868 | 0.72 | MAPT (0.61) | IDO1ALDH1A1MAP4K4NOTUMMAPT | |
| SCHEMBL17504828 | 0.71 | ALDH1A1 (0.40) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29282662 | 0.70 | ALDH1A1 (0.38) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL16028886 | 0.70 | IDO1 (0.41) | AAK1IDO1MAP4K4NOTUMLMNA |
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-114901283-A | Therapeutic and prophylactic agent for functional digestive tract disorder and xerostomia | 日本新药株式会社 | 2022-08-12 | — | — | CN | disclosed |