Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA7 | P43166 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.48 |
| ▸ | TPMT | P51580 | 1/20 | 0.48 |
| ▸ | CNR2 | P34972 | 3/20 | 0.45 |
| ▸ | CNR1 | P21554 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4859473 | 0.84 | CA12 (0.67) | TDP1CA12CA1CA2CA7 | |
| SCHEMBL27880093 | 0.83 | CNR1 (0.50) | TDP1CA12CA1CA2CA7 | |
| SCHEMBL6889582 | 0.81 | TDP1 (0.47) | TDP1CA12CA1CA2CA7 | |
| SCHEMBL16273340 | 0.80 | CNR1 (0.55) | TDP1CA12CA1CA2CA7 | |
| SCHEMBL265366 | 0.80 | CA12 (0.67) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14107663 | 0.79 | SERPINE1 (0.47) | TDP1CA12CA1CA2CA7 | |
| SCHEMBL20649315 | 0.79 | MAPK1 (0.55) | TDP1CA12CA1CA2CA7 | |
| SCHEMBL7669589 | 0.79 | LMNA (0.58) | TDP1CA12CA1CA2CA7 | |
| SCHEMBL3439662 | 0.79 | CA12 (0.50) | TDP1CA12CA1CA2CA7 | |
| SCHEMBL18675964 | 0.79 | CNR1 (0.56) | TDP1CNR2CNR1CYP1A2LMNA |
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-1759095-A | N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARM INC (US) | 2006-04-12 | — | — | CN | disclosed |