Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.68 |
| ▸ | MAOB | P27338 | 5/20 | 0.68 |
| ▸ | MAPT | P10636 | 4/20 | 0.68 |
| ▸ | BCHE | P06276 | 2/20 | 0.68 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.68 |
| ▸ | LMNA | P02545 | 1/20 | 0.68 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.68 |
| ▸ | ACHE | P22303 | 1/20 | 0.68 |
| ▸ | RECQL | P46063 | 1/20 | 0.68 |
| ▸ | PLIN5 | Q00G26 | 1/20 | 0.68 |
| ▸ | ABHD5 | Q8WTS1 | 1/20 | 0.68 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.63 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.63 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.63 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.63 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.63 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.63 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.63 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.63 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL6168348 | 1.00 | CYP1B1 (0.68) | CYP1B1MAOBMAPTBCHEPLIN1 | |
| SCHEMBL13203402 | 0.88 | MAOB (0.81) | CYP1B1MAOBMAPTBCHEPLIN1 | |
| SCHEMBL28110416 | 0.88 | MAOB (0.81) | CYP1B1MAOBMAPTBCHEPLIN1 | |
| SCHEMBL7338947 | 0.86 | P4HB (0.77) | CYP1B1MAOBMAPTBCHEPLIN1 | |
| SCHEMBL6170653 | 0.86 | NPSR1 (0.64) | MAOBMAPTLMNAHDAC3HDAC4 | |
| SCHEMBL31233485 | 0.86 | P4HB (0.77) | CYP1B1MAOBMAPTBCHEPLIN1 | |
| SCHEMBL6170656 | 0.86 | NPSR1 (0.64) | MAOBMAPTLMNAHDAC3HDAC4 | |
| SCHEMBL7338954 | 0.86 | P4HB (0.77) | CYP1B1MAOBMAPTBCHEPLIN1 | |
| SCHEMBL28179497 | 0.86 | TTR (0.59) | CYP1B1MAOBMAPTBCHEPLIN1 | |
| SCHEMBL16131296 | 0.84 | CYP1B1 (0.75) | CYP1B1MAOBMAPTBCHEPLIN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1192127-B1 | SUBSTITUTED BENZAMIDE INHIBITORS OF RHINOVIRUS 3C PROTEASE | AGOURON PHARMA (US) | 2005-03-30 | — | — | EP | disclosed |
| US-6369226-B1 | ENZYME INHIBITORS | AGOURON PHARMACEUTICALS, INC. | 2002-04-09 | — | — | US | disclosed |