Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 7/20 | 0.49 |
| ▸ | MPO | P05164 | 7/20 | 0.49 |
| ▸ | MGMT | P16455 | 5/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | TPO | P07202 | 1/20 | 0.45 |
| ▸ | EPX | P11678 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CDK1 | P06493 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.45 |
| ▸ | CDK2 | P24941 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL21575584 | 0.88 | MPO (0.47) | PIN1MPOMGMTCYP3A4TPO | |
| SCHEMBL21160447 | 0.88 | PIN1 (0.47) | PIN1MPOMGMTCYP3A4TPO | |
| SCHEMBL27343089 | 0.87 | PIN1 (0.46) | PIN1MPOMGMTCYP3A4TPO | |
| SCHEMBL21036999 | 0.87 | PIN1 (0.51) | PIN1MPOMGMTCYP3A4TPO | |
| SCHEMBL15372394 | 0.87 | PIN1 (0.64) | PIN1MPOMGMTCYP3A4TPO | |
| 6-O-Benzylguanine SCHEMBL4631743 | 0.85 | MGMT (0.61) | PIN1MPOMGMTCYP3A4TPO | |
| SCHEMBL3720508 | 0.85 | MGMT (0.52) | PIN1MPOMGMTCYP3A4TPO | |
| SCHEMBL12305328 | 0.85 | PIN1 (0.46) | PIN1MPOMGMTCYP3A4TPO | |
| SCHEMBL12252403 | 0.84 | MGMT (0.58) | PIN1MPOMGMTCYP3A4TPO | |
| SCHEMBL1533391 | 0.84 | MPO (0.61) | PIN1MPOMGMTCYP3A4TPO |
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-2021160732-A1 | FLUORESCENT RHODAMINE DYES WITH ENHANCED CELL PERMEABILITY | Max-Planck-Gesellschaft zur Förderung der Wissenschaften e. V. (DE) | 2021-08-19 | — | — | WO | disclosed |
| EP-3865544-A1 | FLUORESCENT RHODAMINE DYES WITH ENHANCED CELL PERMEABILITY | Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2021-08-18 | — | — | EP | disclosed |