Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 5/20 | 0.63 |
| ▸ | TAS1R1 | Q7RTX1 | 5/20 | 0.63 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6509038 | 0.77 | TAS1R3 (0.62) | TAS1R3TAS1R1MAPTLMNAKMT2A | |
| SCHEMBL704627 | 0.77 | TAS1R3 (1.00) | TAS1R3TAS1R1 | |
| SCHEMBL1642727 | 0.77 | CREBBP (0.68) | TAS1R3TAS1R1HDAC1MAPTMEN1 | |
| SCHEMBL701512 | 0.77 | TSHR (0.68) | TAS1R3TAS1R1LMNAPOLB | |
| SCHEMBL25993921 | 0.77 | TAS1R3 (0.58) | TAS1R3TAS1R1HDAC3HDAC1HDAC2 | |
| SCHEMBL12493300 | 0.75 | TAS1R3 (0.60) | TAS1R3TAS1R1LMNAHPGDALDH1A1 | |
| SCHEMBL14648189 | 0.75 | TAS1R3 (0.60) | TAS1R3TAS1R1KDM4EMAPTLMNA | |
| SCHEMBL9944135 | 0.75 | MEN1 (0.62) | TAS1R3TAS1R1KDM4EMAPTLMNA | |
| SCHEMBL702707 | 0.75 | TAS1R3 (0.84) | TAS1R3TAS1R1 | |
| SCHEMBL16960580 | 0.73 | TAS1R3 (0.56) | TAS1R3TAS1R1MAPTPOLBHPGD |
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-2005082866-A2 | SUBSTITUTED 1, 2, 4- TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS | PFIZER LIMITED (GB) | 2005-09-09 | — | — | WO | disclosed |
| WO-2005082866-A2 | SUBSTITUTED 1, 2, 4- TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS | PFIZER LIMITED (GB) | 2005-09-09 | — | — | WO | disclosed |