Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
| ▸ | PKM | P14618 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL7534789 | 0.83 | ALDH1A1 (0.63) | ALDH1A1SMN1; SMN2KMT2ATSHRGAA | |
| SCHEMBL19334313 | 0.79 | ALDH1A1 (0.63) | ALDH1A1SMN1; SMN2KMT2ATSHRLMNA | |
| SCHEMBL23016797 | 0.79 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2KMT2ALMNAPKM | |
| SCHEMBL15882764 | 0.75 | ALDH1A1 (0.71) | ALDH1A1SMN1; SMN2KMT2AGAAMAPT | |
| SCHEMBL15308195 | 0.75 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2KMT2ATSHRLMNA | |
| SCHEMBL11888598 | 0.75 | CYP1A2 (0.74) | ALDH1A1SMN1; SMN2KMT2ATSHRLMNA | |
| SCHEMBL15353952 | 0.74 | ALDH1A1 (0.81) | ALDH1A1SMN1; SMN2KMT2ATSHRLMNA | |
| SCHEMBL16000103 | 0.74 | ALDH1A1 (0.70) | ALDH1A1SMN1; SMN2KMT2ACYP1A2CYP3A4 | |
| SCHEMBL12085541 | 0.73 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2KMT2ATSHRLMNA | |
| SCHEMBL21976700 | 0.73 | CYP1A2 (0.69) | ALDH1A1SMN1; SMN2KMT2ALMNACYP1A2 |
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-9757375-B2 | Compounds that inhibit human DNA ligases and methods of treating cancer | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2017-09-12 | — | — | US | disclosed |