Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | RIOK2 | Q9BVS4 | 3/20 | 0.45 |
| ▸ | GSK3A | P49840 | 2/20 | 0.45 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.45 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.45 |
| ▸ | HIPK1 | Q86Z02 | 1/20 | 0.45 |
| ▸ | SNRK | Q9NRH2 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27492954 | 0.84 | F2 (0.53) | ALDH1A1GAAMAPTCYP1A2HSD17B10 | |
| SCHEMBL27493347 | 0.81 | CYP2D6 (0.41) | ALDH1A1GAACYP1A2SMN1; SMN2MEN1 | |
| SCHEMBL27494110 | 0.81 | CYP2D6 (0.41) | ALDH1A1GAACYP1A2SMN1; SMN2MEN1 | |
| SCHEMBL27511354 | 0.81 | CYP2D6 (0.41) | ALDH1A1GAACYP1A2SMN1; SMN2MEN1 | |
| SCHEMBL27557417 | 0.81 | GAA (0.51) | ALDH1A1GAAMAPTCYP1A2HSD17B10 | |
| SCHEMBL27563843 | 0.79 | SMN1; SMN2 (0.50) | ALDH1A1GAAMAPTCYP1A2NPC1 | |
| SCHEMBL28741340 | 0.76 | NPC1 (0.58) | ALDH1A1GAAMAPTCYP1A2HSD17B10 | |
| SCHEMBL27509166 | 0.76 | NPC1 (0.58) | ALDH1A1GAAMAPTCYP1A2HSD17B10 | |
| SCHEMBL27509893 | 0.76 | NPC1 (0.58) | ALDH1A1GAAMAPTCYP1A2HSD17B10 | |
| SCHEMBL10130727 | 0.71 | GAA (0.69) | ALDH1A1GAACYP1A2HSD17B10NPC1 |
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-1223650-A | Piperidines and pyrrolidines | MERCK PATENT GMBH (DE) | 1999-07-21 | — | — | CN | disclosed |