Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 7/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | GAA | P10253 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | HPGDS | O60760 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL428389 | 0.85 | RAB9A (0.53) | TSHRRAB9ASMN1; SMN2GAANPC1 | |
| Toluic Acid SCHEMBL27430458 | 0.84 | NAPRT (0.50) | TSHRGAAMEN1KMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL29099350 | 0.83 | RAB9A (0.51) | TSHRRAB9ASMN1; SMN2GAANPC1 | |
| Chloroacetic Acid SCHEMBL27455917 | 0.80 | RAB9A (0.49) | TSHRRAB9ASMN1; SMN2GAANPC1 | |
| Ethyl Benzoate SCHEMBL31443235 | 0.79 | SMN1; SMN2 (0.62) | TSHRRAB9ASMN1; SMN2GAANPC1 | |
| Toluic Acid SCHEMBL28309919 | 0.76 | TSHR (0.53) | TSHRRAB9ASMN1; SMN2GAANPC1 | |
| SCHEMBL29020236 | 0.75 | RAB9A (0.51) | RAB9ASMN1; SMN2GAANPC1MEN1 | |
| SCHEMBL1569293 | 0.75 | TSHR (0.80) | TSHRRAB9ASMN1; SMN2GAANPC1 | |
| SCHEMBL29535471 | 0.75 | TSHR (0.80) | TSHRRAB9ASMN1; SMN2GAANPC1 | |
| Toluic Acid SCHEMBL27925543 | 0.74 | TSHR (0.52) | TSHRRAB9ASMN1; SMN2GAANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108864056-B | Near infrared fluorescent compound and its preparation method and application with AIE performance | 北京理工大学 | 2019-11-05 | — | — | CN | disclosed |
| CN-108864056-A | Near infrared fluorescent compound and its preparation method and application with AIE performance | 北京理工大学 | 2018-11-23 | — | — | CN | disclosed |