Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.42 |
| ▸ | RXRB | P28702 | 1/20 | 0.42 |
| ▸ | RXRG | P48443 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.41 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | RORC | P51449 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL8712614 | 0.85 | ABL1 (0.42) | POLBABL1RIN1HDAC1HDAC6 | |
| SCHEMBL15057261 | 0.82 | ABL1 (0.49) | POLBABL1RIN1HDAC1HDAC6 | |
| SCHEMBL2853330 | 0.82 | HDAC1 (0.58) | ABL1RIN1HDAC1HDAC6ALDH1A1 | |
| SCHEMBL3719650 | 0.82 | CSNK2A1 (0.45) | ABL1RIN1RXRARXRBRXRG | |
| SCHEMBL16914811 | 0.81 | POLB (0.57) | POLBRXRARXRBRXRGALDH1A1 | |
| SCHEMBL10245332 | 0.81 | POLB (0.57) | POLBABL1RIN1ALDH1A1TDP1 | |
| SCHEMBL10725513 | 0.79 | MAPT (0.54) | HDAC1HDAC6ALDH1A1KDM4ETDP1 | |
| SCHEMBL3723071 | 0.78 | CSNK2A1 (0.45) | RXRARXRBRXRGALDH1A1KDM4E | |
| SCHEMBL8712707 | 0.77 | HDAC1 (0.39) | POLBABL1RIN1HDAC1HDAC6 | |
| SCHEMBL5421112 | 0.77 | HDAC1 (0.44) | ABL1RIN1HDAC1HDAC6ALDH1A1 |
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-5877191-A | ANTIINFLAMMATORY AGENT; ANALGESICS; ANTIHISTAMINES; EMESIS | MERCK & CO., INC. (US) | 1999-03-02 | — | — | US | disclosed |
| WO-1998017660-A1 | PHENYL SPIROETHERCYCLOALKYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1998-04-30 | — | — | WO | disclosed |