Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | GSK3A | P49840 | 2/20 | 0.43 |
| ▸ | GSK3B | P49841 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 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 | |
|---|---|---|---|---|
| SCHEMBL15565060 | 0.81 | ALDH1A1 (0.47) | CA12CA9RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL16566456 | 0.79 | KMT2A (0.44) | CA12CA9RAB9ASMN1; SMN2KDM4E | |
| Hydrochloric Acid SCHEMBL3854539 | 0.73 | MAPT (0.48) | RAB9ASMN1; SMN2KDM4EMAPTGSK3A | |
| Hydrochloric Acid SCHEMBL3849376 | 0.73 | RAB9A (0.48) | CA12CA9RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL11736207 | 0.70 | ALDH1A1 (0.68) | MAPTALDH1A1KMT2AMEN1CYP3A4 | |
| SCHEMBL15973169 | 0.70 | ALDH1A1 (0.54) | RAB9ASMN1; SMN2KDM4EMAPTGSK3A | |
| Bromide SCHEMBL6074363 | 0.69 | ALDH1A1 (0.49) | RAB9ASMN1; SMN2KDM4EMAPTGSK3A | |
| SCHEMBL10418997 | 0.68 | HTT (0.63) | RAB9ASMN1; SMN2MAPTGSK3AGSK3B | |
| SCHEMBL28841390 | 0.68 | ALDH1A1 (0.44) | RAB9ASMN1; SMN2KDM4EMAPTGSK3A | |
| Hydrochloric Acid SCHEMBL10529156 | 0.68 | KMT2A (0.41) | RAB9ASMN1; SMN2KDM4EMAPTGSK3A |
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-9962383-B2 | Compounds, compositions and methods of agelastatin alkaloids | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2018-05-08 | — | — | US | disclosed |
| US-9962383-B2 | Compounds, compositions and methods of agelastatin alkaloids | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2018-05-08 | — | — | US | disclosed |