Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.67 |
| ▸ | POLB | P06746 | 3/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | GRK2 | P25098 | 2/20 | 0.67 |
| ▸ | RAB9A | P51151 | 2/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.54 |
| ▸ | EGFR | P00533 | 2/20 | 0.52 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.52 |
| ▸ | CTDSP1 | Q9GZU7 | 2/20 | 0.52 |
| ▸ | LIG1 | P18858 | 1/20 | 0.52 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.52 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.52 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL19334407 | 0.91 | RAB9A (0.77) | KMT2APOLBGRK2RAB9ATBXA2R | |
| SCHEMBL13401887 | 0.84 | HTT (0.68) | KMT2APOLBALDH1A1GRK2RAB9A | |
| SCHEMBL19334506 | 0.81 | ALDH1A1 (0.61) | KMT2AALDH1A1RAB9ATSHRMEN1 | |
| SCHEMBL19334330 | 0.80 | USP2 (0.67) | KMT2APOLBALDH1A1GRK2RAB9A | |
| SCHEMBL13401905 | 0.79 | TDP1 (0.70) | KMT2APOLBALDH1A1GRK2RAB9A | |
| SCHEMBL19334435 | 0.79 | RAB9A (0.73) | KMT2APOLBALDH1A1GRK2RAB9A | |
| SCHEMBL13401886 | 0.79 | ALDH1A1 (0.65) | KMT2AALDH1A1RAB9ATBXA2RMEN1 | |
| SCHEMBL13401909 | 0.79 | ALDH1A1 (0.65) | KMT2APOLBALDH1A1RAB9ATSHR | |
| SCHEMBL19334535 | 0.78 | ALDH1A1 (0.67) | KMT2AALDH1A1RAB9ATSHRTBXA2R | |
| SCHEMBL13401910 | 0.78 | KMT2A (0.55) | KMT2APOLBALDH1A1GRK2TSHR |
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 |