Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.46 |
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8328219 | 0.80 | KMT2A (0.49) | KMT2AAAK1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9130527 | 0.78 | AAK1 (0.59) | KMT2AHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL9130537 | 0.78 | AAK1 (0.59) | KMT2AHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL7408127 | 0.76 | KMT2A (0.61) | KMT2AHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL27563223 | 0.75 | HDAC3 (0.51) | KMT2AHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL8326626 | 0.74 | NPC1 (0.52) | CYP1A2CYP2C9TDP1GRIN2BLMNA | |
| SCHEMBL8276259 | 0.74 | ABCB1 (0.56) | KMT2ATDP1LMNAABCB1ALDH1A1 | |
| SCHEMBL5149951 | 0.72 | ABCB1 (0.58) | KMT2ATDP1LMNAABCB1ALDH1A1 | |
| SCHEMBL9168572 | 0.72 | KMT2A (0.52) | KMT2ACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7371515 | 0.72 | ABCB1 (0.49) | KMT2ALMNAABCB1ALDH1A1HPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0869787-A4 | VITRONECTIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 1999-03-24 | — | — | EP | disclosed |
| EP-0869787-A1 | VITRONECTIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-10-14 | — | — | EP | disclosed |
| WO-1997024119-A1 | VITRONECTIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1997-07-10 | — | — | WO | disclosed |