Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MET | P08581 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL9715984 | 0.90 | ALDH1A1 (0.48) | CA12CA1CYP1A2CA4CA6 | |
| SCHEMBL9716010 | 0.87 | MET (0.51) | CA12CA1CA4CA6CA5A | |
| SCHEMBL9716052 | 0.80 | MIF (0.57) | TSHRMETLMNAHTTALDH1A1 | |
| SCHEMBL9716002 | 0.78 | MIF (0.44) | METKMT2A | |
| SCHEMBL9715990 | 0.78 | NPC1 (0.57) | HPGDTSHRLMNAPKMHTT | |
| SCHEMBL536309 | 0.78 | TDP1 (0.47) | HPGDLMNAALDH1A1MAPTKMT2A | |
| SCHEMBL9715940 | 0.77 | KMO (0.58) | HPGDMETALDH1A1MAPTTP53 | |
| SCHEMBL9715963 | 0.74 | KMO (0.46) | CYP1A2HPGDTSHRLMNAKDM4E | |
| SCHEMBL9716054 | 0.74 | MIF (0.46) | LMNAALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL536696 | 0.74 | MAPK1 (0.62) | HPGDTSHRLMNAALDH1A1MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5102898-A | Halosubstituted alkyne group; fungicides | ROHM AND HAAS COMPANY (US) | 1992-04-07 | — | — | US | disclosed |