Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.62 |
| ▸ | CA2 | P00918 | 3/20 | 0.62 |
| ▸ | PLK1 | P53350 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.54 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.54 |
| ▸ | GFER | P55789 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.53 |
| ▸ | F10 | P00742 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7983702 | 0.89 | CA1 (0.57) | CA1CA2PLK1NPC1RAB9A | |
| SCHEMBL7985089 | 0.85 | PLK1 (0.65) | PLK1NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL7985093 | 0.82 | CA1 (0.67) | CA1CA2PLK1NPC1RAB9A | |
| SCHEMBL7973513 | 0.82 | MMP1 (0.61) | PLK1NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL680592 | 0.82 | MMP13 (0.61) | NPC1RAB9ASMN1; SMN2GFERALDH1A1 | |
| SCHEMBL30163942 | 0.82 | KMT2A (0.53) | NPC1RAB9ATP53ALOX15SMN1; SMN2 | |
| SCHEMBL365523 | 0.82 | BCL2L1 (0.59) | CA1CA2SMN1; SMN2LMNAHDAC3 | |
| SCHEMBL16320154 | 0.81 | MMP1 (0.57) | NPC1RAB9ASMN1; SMN2LMNAL3MBTL1 | |
| SCHEMBL363932 | 0.81 | BCL2L1 (0.56) | RAB9ASMN1; SMN2ALDH1A1HDAC3HDAC1 | |
| SCHEMBL7986975 | 0.81 | NPC1 (0.59) | NPC1RAB9ATP53SMN1; SMN2TAS1R3 |
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-6331628-B1 | REACTING A SUBSTITUTED HALOBENZENE WITH POTASSIUM, SODIUM AND/OR ZINC CYANIDE IN THE PRESENCE OF A METALLIC CATALYST | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2001-12-18 | — | — | US | disclosed |