Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 3/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | GUSB | P08236 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL15691421 | 0.82 | ELANE (0.45) | ALDH1A1ADORA3CA12CA1CA2 | |
| SCHEMBL1121340 | 0.81 | CYP2A6 (0.45) | ALDH1A1ELANEKDM4EMEN1MAPT | |
| SCHEMBL9306110 | 0.81 | ALDH1A1 (0.48) | ALDH1A1ADORA3CA12CA1CA2 | |
| SCHEMBL13058669 | 0.78 | MTNR1A (0.47) | ALDH1A1ADORA3CA12CA1CA2 | |
| SCHEMBL6489417 | 0.72 | ELANE (0.41) | ALDH1A1ELANECYP2A6 | |
| SCHEMBL10890457 | 0.71 | MTNR1A (0.40) | ADORA3CA12CA1CA2CA9 | |
| SCHEMBL7966615 | 0.71 | LMNA (0.46) | MAPTLMNA | |
| SCHEMBL10890461 | 0.69 | ADORA3 (0.36) | ADORA3CA12CA1CA2CA9 | |
| SCHEMBL6275934 | 0.69 | MTNR1A (0.38) | — | |
| SCHEMBL28628561 | 0.69 | NCF1 (0.47) | ALDH1A1TLR8KDM1AGUSBMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5347008-A | Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents | CIBA-GEIGY CORPORATION (US) | 1994-09-13 | — | — | US | disclosed |
| EP-0129506-A2 | Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids | CIBA-GEIGY AG (CH) | 1984-12-27 | — | — | EP | disclosed |