Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.64 |
| ▸ | CA2 | P00918 | 3/20 | 0.64 |
| ▸ | CA4 | P22748 | 3/20 | 0.64 |
| ▸ | CA6 | P23280 | 3/20 | 0.64 |
| ▸ | CA5A | P35218 | 3/20 | 0.64 |
| ▸ | CA7 | P43166 | 3/20 | 0.64 |
| ▸ | CA9 | Q16790 | 3/20 | 0.64 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.64 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.64 |
| ▸ | F13A1 | P00488 | 2/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.64 |
| ▸ | THPO | P40225 | 2/20 | 0.64 |
| ▸ | CA3 | P07451 | 2/20 | 0.64 |
| ▸ | CA1 | P00915 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | PKM | P14618 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | MTOR | P42345 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| Biguanide SCHEMBL15969880 | 0.85 | CA12 (0.56) | CA12CA2CA4CA6CA5A | |
| Spermidine SCHEMBL10634413 | 0.84 | CYP1A2 (0.61) | CA12CA2CA4CA6CA5A | |
| SCHEMBL25189618 | 0.82 | CYP1A2 (0.56) | CA12CA2CA4CA6CA5A | |
| SCHEMBL9391127 | 0.80 | CYP1A2 (0.54) | CA12CA2CA4CA6CA5A | |
| Spermidine SCHEMBL6253721 | 0.80 | CA12 (1.00) | CA12CA2CA4CA6CA5A | |
| Spermine SCHEMBL431884 | 0.80 | CA12 (1.00) | CA12CA2CA4CA6CA5A | |
| Spermidine SCHEMBL8073115 | 0.80 | CA12 (1.00) | CA12CA2CA4CA6CA5A | |
| Spermine SCHEMBL288605 | 0.80 | CA12 (1.00) | CA12CA2CA4CA6CA5A | |
| SCHEMBL3165201 | 0.80 | CA12 (1.00) | CA12CA2CA4CA6CA5A | |
| SCHEMBL3175232 | 0.80 | CA12 (1.00) | CA12CA2CA4CA6CA5A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012047630-A2 | N-ALKYL OR N-ARYL SUBSTITUTED GUANIDE AND BIGUANIDE COMPOUNDS AND METHODS OF THEIR USE | TEINTZE MARTIN (US) | 2012-04-12 | — | — | WO | disclosed |