Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | KDR | P35968 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | GMNN | O75496 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5754866 | 0.82 | NPC1 (0.45) | KDRCYP3A4TP53CYP1A2CYP2C9 | |
| SCHEMBL4317092 | 0.70 | CYP17A1 (0.60) | KDRFLT1FLT4GPBAR1PDGFRB | |
| SCHEMBL5759211 | 0.70 | SIGMAR1 (0.44) | SIGMAR1MEN1KMT2AALDH1A1 | |
| SCHEMBL2780033 | 0.69 | CYP2A6 (0.55) | KDRTP53RAB9AMAPK1SMN1; SMN2 | |
| SCHEMBL10508142 | 0.69 | MEN1 (0.69) | CYP3A4TP53CYP1A2CYP2C9TSHR | |
| SCHEMBL5757769 | 0.68 | KDM4C (0.49) | KDRFLT1FLT4PDGFRBPDGFRA | |
| SCHEMBL22744325 | 0.68 | CYP17A1 (0.47) | TDP1 | |
| SCHEMBL244070 | 0.65 | CALM1 (0.79) | SIGMAR1CALM1TDP1MAOB | |
| SCHEMBL4254058 | 0.65 | CALM1 (0.72) | SIGMAR1CALM1TDP1MAOB | |
| Thiophene SCHEMBL27945185 | 0.65 | CALM1 (0.61) | SIGMAR1CALM1TDP1ALDH1A1MAOB |
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 |
|---|---|---|---|---|---|---|---|
| JP-2003500357-A | — | — | 2003-01-07 | — | — | JP | claimed |
| EP-1194144-A4 | ANTIBACTERIAL COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2002-08-07 | — | — | EP | claimed |
| EP-1194144-A1 | ANTIBACTERIAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2002-04-10 | — | — | EP | claimed |
| WO-2000071120-A1 | ANTIBACTERIAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-11-30 | — | — | WO | claimed |