Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.36 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.35 |
| ▸ | TUBB | P07437 | 1/20 | 0.35 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.35 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.35 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.35 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.35 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.35 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.35 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.35 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.35 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.35 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2003933 | 0.94 | ALDH1A1 (0.41) | ALDH1A1KDM4EMEN1USP2LMNA | |
| SCHEMBL2006671 | 0.91 | PTGES2 (0.40) | ALDH1A1KDM4EMEN1USP2LMNA | |
| SCHEMBL2004214 | 0.91 | CCR9 (0.37) | KDM4EMEN1KMT2APTGES2MCHR1 | |
| SCHEMBL2003600 | 0.89 | LMNA (0.40) | ALDH1A1MEN1LMNAPOLBKMT2A | |
| SCHEMBL2002457 | 0.89 | ALOX5 (0.36) | ALDH1A1KDM4ELMNAPTGES2MCHR1 | |
| SCHEMBL2000914 | 0.89 | FAAH (0.42) | ALDH1A1KDM4EMEN1USP2LMNA | |
| SCHEMBL2005131 | 0.88 | FAAH (0.41) | KDM4EMEN1KMT2APTGES2CYP1A2 | |
| SCHEMBL2008226 | 0.88 | ALDH1A1 (0.41) | ALDH1A1KDM4EMEN1USP2LMNA | |
| SCHEMBL2001282 | 0.88 | FAAH (0.42) | — | |
| SCHEMBL2002560 | 0.87 | MAPT (0.40) | MEN1KMT2APTGES2CYP3A4CCR9 |
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-7960544-B2 | Useful indole compounds | IRONWOOD PHARMACEUTICALS, INC. (US) | 2011-06-14 | — | — | US | disclosed |