Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | RXRA | P19793 | 6/20 | 0.41 |
| ▸ | RXRB | P28702 | 5/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.40 |
| ▸ | BAD | Q92934 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.39 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | RXRG | P48443 | 2/20 | 0.38 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16970612 | 0.79 | ALDH1A1 (0.37) | KMT2ANPC1RAB9ATSHRMEN1 | |
| SCHEMBL11074877 | 0.78 | ALDH1A1 (0.48) | KMT2ANPC1RAB9ATP53TSHR | |
| SCHEMBL8210753 | 0.77 | ALDH1A1 (0.41) | KMT2ANPC1RAB9ATP53TSHR | |
| SCHEMBL10470227 | 0.76 | RXRA (0.57) | NPC1RAB9ARXRAPOLBKDM4E | |
| SCHEMBL436626 | 0.74 | AHR (0.34) | KMT2ANPC1RAB9AMEN1LMNA | |
| SCHEMBL10469452 | 0.73 | TSHR (0.48) | NPC1RAB9ATP53TSHRRXRA | |
| SCHEMBL7150692 | 0.73 | KMO (0.50) | NPC1RAB9ATSHRRXRARXRB | |
| SCHEMBL15066583 | 0.72 | CYP2A6 (0.32) | — | |
| SCHEMBL2348487 | 0.71 | BCL2L1 (0.60) | KMT2ATP53TSHRRXRARXRB | |
| SCHEMBL14140355 | 0.71 | BCL2L1 (0.60) | KMT2ATP53TSHRRXRARXRB |
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-0863877-A4 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INST (US) | 1999-07-21 | — | — | EP | disclosed |
| EP-0863877-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1998-09-16 | — | — | EP | disclosed |
| WO-1997016428-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1997-05-09 | — | — | WO | disclosed |