Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | ABL1 | P00519 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PLK1 | P53350 | 3/20 | 0.39 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.39 |
| ▸ | P2RX2 | Q9UBL9 | 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 | |
|---|---|---|---|---|
| SCHEMBL9103589 | 0.84 | PHGDH (0.47) | HDAC2HDAC8HDAC6TSHRNPC1 | |
| SCHEMBL9103598 | 0.84 | PHGDH (0.47) | HDAC2HDAC8HDAC6TSHRNPC1 | |
| SCHEMBL16480412 | 0.83 | MEN1 (0.57) | HDAC8HDAC6TSHRNPC1RAB9A | |
| SCHEMBL14687147 | 0.83 | CA12 (0.53) | CCNA2CDK2CCNA1TSHRNPC1 | |
| SCHEMBL9891740 | 0.82 | HDAC6 (0.42) | HDAC2HDAC8HDAC6TSHRNPC1 | |
| SCHEMBL9892983 | 0.82 | PTGER2 (0.46) | HDAC2HDAC8HDAC6TSHRNPC1 | |
| SCHEMBL16542445 | 0.82 | HDAC2 (0.42) | HDAC2HDAC8HDAC6TSHRNPC1 | |
| SCHEMBL16480413 | 0.78 | CCNA2 (0.41) | CCNA2CDK2CCNA1NPC1RAB9A | |
| SCHEMBL11112763 | 0.78 | ESR1 (0.49) | CCNA2CDK2CCNA1ABL1KMT2A | |
| SCHEMBL28223403 | 0.76 | ALDH1A1 (0.52) | TSHRRAB9AHPGDSMN1; SMN2MEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8629157-B2 | Pyrrolidine compounds which modulate the CB2 receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-01-14 | — | — | US | disclosed |