Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | RAD52 | P43351 | 2/20 | 0.38 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL509508 | 0.85 | CYP3A4 (0.43) | CYP1A2ALDH1A1LMNAKDM4EHPGD | |
| SCHEMBL18497858 | 0.82 | CYP1A2 (0.44) | CYP2A6CYP1A2ALDH1A1LMNARAB9A | |
| SCHEMBL12733667 | 0.76 | SMN1; SMN2 (0.50) | CYP1A2ALDH1A1LMNARAB9ASMN1; SMN2 | |
| SCHEMBL12070710 | 0.75 | KDM4E (0.48) | CYP2A6CYP1A2ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL22095249 | 0.75 | LMNA (0.35) | CYP2A6CYP1A2ALDH1A1LMNARAB9A | |
| SCHEMBL12490173 | 0.74 | KDM4E (0.42) | CYP2A6CYP1A2ALDH1A1LMNARAB9A | |
| SCHEMBL17557169 | 0.72 | LMNA (0.46) | CYP2A6CYP1A2ALDH1A1LMNARAB9A | |
| SCHEMBL10434554 | 0.71 | CYP1A2 (0.58) | CYP2A6CYP1A2ALDH1A1HPGDMAPT | |
| SCHEMBL27955277 | 0.71 | CYP2A6 (0.46) | CYP2A6CYP1A2ALDH1A1LMNARAB9A | |
| SCHEMBL16029928 | 0.69 | CYP2A6 (0.44) | CYP2A6CYP1A2ALDH1A1LMNARAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999011622-A1 | AMINO-SUBSTITUTED COMPOUNDS, METHODS, AND COMPOSITIONS FOR INHIBITING PARP ACTIVITY | GUILFORD PHARMACEUTICALS INC. (US) | 1999-03-11 | — | — | WO | claimed |
| WO-1999011622-A1 | AMINO-SUBSTITUTED COMPOUNDS, METHODS, AND COMPOSITIONS FOR INHIBITING PARP ACTIVITY | GUILFORD PHARMACEUTICALS INC. (US) | 1999-03-11 | — | — | WO | disclosed |