Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.80 |
| ▸ | TSHR | P16473 | 1/20 | 0.80 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.80 |
| ▸ | MAOB | P27338 | 1/20 | 0.80 |
| ▸ | MEN1 | O00255 | 1/20 | 0.77 |
| ▸ | BLM | P54132 | 1/20 | 0.77 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.77 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.77 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.60 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.60 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.60 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.60 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.60 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.60 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.60 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.60 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.60 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.60 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL27956896 | 0.93 | CYP1A2 (0.75) | CYP1A2TSHRNFKB1MAOBMEN1 | |
| SCHEMBL7104101 | 0.93 | CYP1A2 (0.75) | CYP1A2TSHRNFKB1MAOBMEN1 | |
| SCHEMBL14159023 | 0.91 | CYP1A2 (0.63) | CYP1A2TSHRNFKB1MAOBMEN1 | |
| SCHEMBL3506361 | 0.89 | MAOB (1.00) | CYP1A2TSHRNFKB1MAOBMEN1 | |
| Hydrochloric Acid SCHEMBL2799201 | 0.87 | KMT2A (1.00) | CYP1A2TSHRNFKB1MAOBMEN1 | |
| Hydrochloric Acid SCHEMBL663099 | 0.87 | KMT2A (1.00) | CYP1A2TSHRNFKB1MAOBMEN1 | |
| SCHEMBL9491749 | 0.87 | HDAC3 (0.76) | CYP1A2TSHRNFKB1MAOBMEN1 | |
| SCHEMBL3523157 | 0.85 | MAPK1 (0.61) | CYP1A2TSHRNFKB1MAOBMEN1 | |
| SCHEMBL9584535 | 0.85 | CYP1A2 (0.78) | CYP1A2TSHRNFKB1MAOBMEN1 | |
| SCHEMBL11300818 | 0.84 | CYP1A2 (0.67) | CYP1A2TSHRNFKB1MAOBMEN1 |
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-1448566-A2 | CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2004-08-25 | — | — | EP | disclosed |
| WO-2003045942-A2 | CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2003-06-05 | — | — | WO | disclosed |