Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | TPMT | P51580 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CAPN1 | P07384 | 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 | |
|---|---|---|---|---|
| SCHEMBL7417960 | 0.87 | CA12 (0.62) | CA12CA1CA2CA4CA6 | |
| SCHEMBL7420071 | 0.84 | MAPT (0.55) | CA12CA1CA2CA4CA6 | |
| SCHEMBL29521706 | 0.77 | TSHR (0.70) | CA12CA1CA2CA4CA6 | |
| SCHEMBL184025 | 0.77 | TSHR (0.70) | CA12CA1CA2CA4CA6 | |
| SCHEMBL7421709 | 0.76 | NFE2L2 (0.45) | CA12CA1CA2CA4CA6 | |
| Hydrochloric Acid SCHEMBL8590467 | 0.75 | TSHR (0.68) | CA12CA1CA2CA4CA6 | |
| SCHEMBL8127502 | 0.75 | CA12 (0.61) | CA12CA1CA2CA4CA6 | |
| SCHEMBL2269163 | 0.74 | HTT (0.51) | CA12CA1CA2CA4CA6 | |
| SCHEMBL31696789 | 0.74 | TUBB4A (0.60) | CA12CA1CA2CA4CA6 | |
| SCHEMBL30446783 | 0.74 | TAS1R3 (0.52) | CA12CA1CA2CA4CA6 |
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-1995004046-A1 | COMPOUNDS AS PDE IV AND TNF INHIBITORS | RHONE-POULENC RORER LIMITED (GB) | 1995-02-09 | — | — | WO | disclosed |