Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.75 |
| ▸ | TSHR | P16473 | 1/20 | 0.75 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TRIM24 | O15164 | 2/20 | 0.40 |
| ▸ | TRIM33 | Q9UPN9 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10716239 | 0.91 | ALDH1A1 (0.62) | ALDH1A1TSHRLMNATDP1MEN1 | |
| Dodecylamine SCHEMBL8979426 | 0.89 | ALDH1A1 (0.60) | ALDH1A1TSHRLMNATDP1MEN1 | |
| SCHEMBL29459723 | 0.87 | — | — | |
| SCHEMBL58273 | 0.87 | — | — | |
| Alcohol SCHEMBL28904604 | 0.85 | ALDH1A1 (0.78) | ALDH1A1TSHRLMNATDP1MEN1 | |
| SCHEMBL11865745 | 0.84 | ALDH1A1 (0.95) | ALDH1A1TSHRLMNATDP1MEN1 | |
| SCHEMBL29093512 | 0.84 | ALDH1A1 (0.95) | ALDH1A1TSHRLMNATDP1MEN1 | |
| Hydrochloric Acid SCHEMBL28555033 | 0.84 | ALDH1A1 (0.95) | ALDH1A1TSHRLMNATDP1MEN1 | |
| Fluoride SCHEMBL1403995 | 0.84 | ALDH1A1 (0.95) | ALDH1A1TSHRLMNATDP1MEN1 | |
| SCHEMBL29030634 | 0.84 | ALDH1A1 (0.95) | ALDH1A1TSHRLMNATDP1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4996237-A | Tubulin polymerization inhibitor; antitumor agent; leukemia and colon cancer | ARIZONA BOARD OF REGENTS (US) | 1991-02-26 | — | — | US | disclosed |