Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | TGM2 | P21980 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 5/20 | 0.40 |
| ▸ | RAB9A | P51151 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | STAT1 | P42224 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | SNCA | P37840 | 1/20 | 0.37 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL90440 | 0.80 | ALDH1A1 (0.56) | ALDH1A1TSHRTGM2NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL27616318 | 0.78 | ALDH1A1 (0.54) | ALDH1A1TSHRTGM2NPC1RAB9A | |
| SCHEMBL27978234 | 0.76 | HSD17B10 (0.42) | ALDH1A1TSHRNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28324222 | 0.75 | ALDH1A1 (0.64) | ALDH1A1TSHRTGM2NPC1RAB9A | |
| SCHEMBL23513176 | 0.70 | TGM2 (0.48) | ALDH1A1TSHRTGM2NPC1RAB9A | |
| SCHEMBL3483051 | 0.70 | ALDH1A1 (0.40) | ALDH1A1TSHRTGM2NPC1RAB9A | |
| SCHEMBL13818699 | 0.70 | ALDH1A1 (0.40) | ALDH1A1TSHRTGM2NPC1RAB9A | |
| SCHEMBL14368315 | 0.70 | FFAR1 (0.46) | ALDH1A1TSHRRAB9AMAPTGAA | |
| SCHEMBL28063064 | 0.70 | ALDH1A1 (0.41) | ALDH1A1TSHRTGM2NPC1RAB9A | |
| SCHEMBL14701703 | 0.69 | ALDH1A1 (0.47) | ALDH1A1TSHRTGM2NPC1RAB9A |
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-104161757-A | Application of mercaptonicotinic acid compounds | AMMS CHINA | 2014-11-26 | — | — | CN | claimed |
| CN-104161757-A | Application of mercaptonicotinic acid compounds | AMMS CHINA | 2014-11-26 | — | — | CN | disclosed |