Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | LSS | P48449 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14279385 | 0.79 | ELANE (0.51) | HRH3ALDH1A1TSHRACHETAAR1 | |
| SCHEMBL9671537 | 0.78 | RAB9A (0.59) | ALDH1A1RAB9ASMN1; SMN2KDM4EELANE | |
| SCHEMBL21318232 | 0.78 | SMN1; SMN2 (0.57) | ALDH1A1TSHRACHETAAR1RAB9A | |
| SCHEMBL2907705 | 0.77 | ELANE (0.59) | RAB9AELANEKMT2A | |
| Propane SCHEMBL11083413 | 0.77 | KMT2A (0.52) | ALDH1A1RAB9ASMN1; SMN2HTTELANE | |
| SCHEMBL22193385 | 0.76 | PRSS1 (0.52) | ALDH1A1MEN1KMT2ATDP1 | |
| SCHEMBL465132 | 0.76 | LMNA (0.52) | ALDH1A1RAB9ASMN1; SMN2HTTELANE | |
| SCHEMBL25137173 | 0.75 | HRH3 (0.56) | HRH3ALDH1A1TSHRACHETAAR1 | |
| SCHEMBL1394966 | 0.75 | LTA4H (0.54) | TSHRRAB9AELANEMEN1KMT2A | |
| SCHEMBL26087008 | 0.75 | ALDH1A1 (0.56) | HRH3ALDH1A1TSHRTAAR1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1085030-B1 | Catalyst and process for preparing polyisocyanates having isocyanurate groups and low colouring | DEGUSSA (DE) | 2005-05-18 | — | — | EP | disclosed |
| EP-1085030-A2 | Catalyst and process for preparing polyisocyanates having isocyanurate groups and low colouring | Degussa-Hüls Aktiengesellschaft (DE) | 2001-03-21 | — | — | EP | disclosed |