Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APEX1 | P27695 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
| ▸ | RXRB | P28702 | 1/20 | 0.36 |
| ▸ | RXRG | P48443 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | FSCN1 | Q16658 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | UTS2R | Q9UKP6 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11639231 | 0.98 | APEX1 (0.44) | APEX1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL11250322 | 0.85 | ALDH1A1 (0.51) | ALDH1A1TSHRLMNA | |
| SCHEMBL11268173 | 0.85 | MEN1 (0.41) | HDAC3HDAC1HDAC2HDAC6ALDH1A1 | |
| Hydrochloric Acid SCHEMBL11724538 | 0.83 | ALDH1A1 (0.50) | ALDH1A1TSHRLMNA | |
| SCHEMBL11253602 | 0.82 | ALDH1A1 (0.40) | ALDH1A1 | |
| SCHEMBL11248074 | 0.82 | ALDH1A1 (0.36) | APEX1ALDH1A1FSCN1SLC6A4 | |
| SCHEMBL8091350 | 0.81 | APEX1 (0.47) | APEX1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL10441674 | 0.81 | HDAC3 (0.40) | APEX1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL11263956 | 0.81 | TSHR (0.46) | APEX1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL11268824 | 0.81 | KDR (0.44) | LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4358611-A | FROM A PHENYLHYDRAZINE, A CHLOROFORMATE, PHOSGENE AND A SECONDARY AMINE | SHELL OIL COMPANY (US) | 1982-11-09 | — | — | US | claimed |
| US-4358611-A | FROM A PHENYLHYDRAZINE, A CHLOROFORMATE, PHOSGENE AND A SECONDARY AMINE | SHELL OIL COMPANY (US) | 1982-11-09 | — | — | US | disclosed |
| US-4050918-A | Herbicidal semicarbazides | SHELL OIL COMPANY (US) | 1977-09-27 | — | — | US | disclosed |
| US-3984463-A | Herbicidal 2-phenyl semicarbazides | SHELL OIL COMPANY (US) | 1976-10-05 | — | — | US | disclosed |