Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | TP53 | P04637 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8752498 | 0.84 | TSHR (0.51) | ALDH1A1CYP1A2HSD17B10RAB9ATP53 | |
| SCHEMBL27744090 | 0.83 | ALDH1A1 (0.54) | ALDH1A1CYP1A2HSD17B10RAB9ATP53 | |
| SCHEMBL9639610 | 0.82 | SMN1; SMN2 (0.55) | ALDH1A1CYP1A2HSD17B10RAB9ATP53 | |
| SCHEMBL474709 | 0.82 | KMT2A (0.70) | ALDH1A1CYP1A2HSD17B10RAB9ATP53 | |
| SCHEMBL10390652 | 0.82 | ALDH1A1 (0.53) | ALDH1A1CYP1A2HSD17B10RAB9ATP53 | |
| SCHEMBL2328579 | 0.81 | ALDH1A1 (0.59) | ALDH1A1CYP1A2HSD17B10RAB9ATP53 | |
| SCHEMBL11682733 | 0.80 | RAB9A (0.54) | ALDH1A1CYP1A2HSD17B10RAB9ATP53 | |
| SCHEMBL31022695 | 0.79 | MEN1 (0.62) | ALDH1A1CYP1A2HSD17B10RAB9ATP53 | |
| SCHEMBL758991 | 0.79 | MEN1 (0.62) | ALDH1A1CYP1A2HSD17B10RAB9ATP53 | |
| SCHEMBL1901172 | 0.78 | ALDH1A1 (0.76) | ALDH1A1CYP1A2HSD17B10RAB9ATP53 |
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-102971301-B | Antitubercular agents | COUNCIL SCIENT IND RES | 2015-07-22 | — | — | CN | disclosed |