Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | PGK1 | P00558 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 3/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.34 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8998078 | 0.86 | CYP2B6 (0.44) | LMNACYP2B6PGK1EGFRERBB2 | |
| SCHEMBL8982258 | 0.86 | NPC1 (0.46) | LMNACYP2B6PGK1EGFRERBB2 | |
| SCHEMBL16774378 | 0.85 | PGK1 (0.41) | LMNACYP2B6PGK1EGFRERBB2 | |
| SCHEMBL16774399 | 0.85 | DHODH (0.45) | LMNACYP2B6PGK1EGFRERBB2 | |
| SCHEMBL6736259 | 0.82 | PGK1 (0.44) | LMNAPGK1EGFRERBB2HPGD | |
| SCHEMBL16774525 | 0.82 | PGK1 (0.39) | LMNACYP2B6PGK1EGFRERBB2 | |
| SCHEMBL7224779 | 0.81 | LMNA (0.36) | LMNACYP2B6PGK1EGFRERBB2 | |
| SCHEMBL11138476 | 0.81 | DHODH (0.46) | HPGDNPC1RAB9ADHODHHDAC1 | |
| Hydrochloric Acid SCHEMBL6831304 | 0.81 | PGK1 (0.43) | LMNAPGK1EGFRERBB2HPGD | |
| SCHEMBL19048819 | 0.80 | CYP2B6 (0.36) | LMNACYP2B6PGK1EGFRERBB2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015158853-A1 | NOVEL NITRIFICATION INHIBITORS | BASF SE (DE) | 2015-10-22 | — | — | WO | disclosed |