Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | TSPO | P30536 | 3/20 | 0.41 |
| ▸ | PLK1 | P53350 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 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 | |
|---|---|---|---|---|
| SCHEMBL8470642 | 0.87 | PLK1 (0.42) | CNR1TSPOPLK1BRD4CYP1A2 | |
| SCHEMBL8472216 | 0.83 | KDM4E (0.42) | TSPOCYP1A2KDM4EALDH1A1TSHR | |
| SCHEMBL8470710 | 0.81 | TSPO (0.58) | TSPOPLK1BRD4CYP1A2KDM4E | |
| SCHEMBL3434531 | 0.76 | TSPO (0.58) | CNR1TSPOPLK1BRD4ALDH1A1 | |
| SCHEMBL8474046 | 0.73 | TSPO (0.47) | CNR1TSPOALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL8473236 | 0.73 | HPGDS (0.43) | CYP1A2KDM4EALDH1A1MAPTCYP1A1 | |
| SCHEMBL8471215 | 0.72 | TSPO (0.59) | TSPOALDH1A1CYP3A4CYP2C9TSHR | |
| SCHEMBL10991830 | 0.71 | LMNA (0.49) | CNR1KDM4EALDH1A1MAPTRAB9A | |
| SCHEMBL28815511 | 0.71 | ALDH1A1 (0.50) | KDM4EALDH1A1MAPTLMNATP53 | |
| SCHEMBL10985563 | 0.71 | KDM4E (0.48) | CYP1A2KDM4ENPC1ALDH1A1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-5998624-A | MEDICAL DIAGNOSIS; BINDING TO SITE OF INJURY, INFLAMMATION | EMORY UNIVERSITY (US) | 1999-12-07 | — | — | US | disclosed |
| WO-1998049900-A1 | HALOISOQUINOLINE CARBOXAMIDE | EMORY UNIVERSITY (US) | 1998-11-12 | — | — | WO | disclosed |