Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.72 |
| ▸ | HPGD | P15428 | 6/20 | 0.72 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.61 |
| ▸ | TP53 | P04637 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.50 |
| ▸ | TUBB | P07437 | 1/20 | 0.50 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.50 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.50 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Robustine SCHEMBL31419857 | 1.00 | KDM4E (0.72) | KDM4EALDH1A1HPGDCYP1A2CYP3A4 | |
| Robustine SCHEMBL29351281 | 1.00 | KDM4E (0.72) | KDM4EALDH1A1HPGDCYP1A2CYP3A4 | |
| SCHEMBL29827080 | 0.84 | ALDH1A1 (0.71) | KDM4EALDH1A1HPGDCYP1A2CYP3A4 | |
| SCHEMBL15263337 | 0.84 | ALDH1A1 (0.71) | KDM4EALDH1A1HPGDCYP1A2CYP3A4 | |
| Gamma-Fagarine SCHEMBL29594141 | 0.84 | KDM4E (1.00) | KDM4EALDH1A1HPGDCYP1A2CYP3A4 | |
| Gamma-Fagarine SCHEMBL679918 | 0.84 | KDM4E (1.00) | KDM4EALDH1A1HPGDCYP1A2CYP3A4 | |
| Skimmianine SCHEMBL893654 | 0.76 | ALDH1A1 (1.00) | KDM4EALDH1A1HPGDCYP1A2CYP3A4 | |
| Skimmianine SCHEMBL29594332 | 0.76 | ALDH1A1 (1.00) | KDM4EALDH1A1HPGDCYP1A2CYP3A4 | |
| Dictamnine SCHEMBL1760700 | 0.75 | POLB (0.65) | KDM4EALDH1A1HPGDCYP1A2CYP3A4 | |
| SCHEMBL4214873 | 0.74 | KDM4E (0.42) | KDM4EALDH1A1HPGDCYP1A2CYP3A4 |
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-111956648-B | Application of alkaloid vanilloid and large She Anting in preparation of medicine for treating leucoderma | 中国科学院新疆理化技术研究所 | 2023-06-20 | — | — | CN | disclosed |
| CN-111956648-A | Use of alkaloids such as vanillinine and eucalyptol in preparation of medicine for treating vitiligo | 中国科学院新疆理化技术研究所 | 2020-11-20 | — | — | CN | disclosed |