Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | METAP2 | P50579 | 2/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | XDH | P47989 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5111323 | 0.91 | NOTUM (0.36) | ADORA2AADORA1NOTUMMEN1NPC1 | |
| SCHEMBL28478227 | 0.76 | ERBB2 (0.30) | KDM4ENPC1RAB9ATDP1 | |
| SCHEMBL28313237 | 0.76 | — | — | |
| SCHEMBL18051409 | 0.75 | NOTUM (0.48) | NOTUMIDO1 | |
| SCHEMBL654803 | 0.74 | METAP2 (0.56) | ALDH1A1TSHRSMN1; SMN2KDM4EMEN1 | |
| SCHEMBL3401179 | 0.74 | IDO1 (0.56) | TSHRSMN1; SMN2NOTUMKDM4ENPC1 | |
| SCHEMBL4649910 | 0.74 | TSHR (0.39) | ALDH1A1TSHRKDM4ENPC1TDP1 | |
| SCHEMBL19039332 | 0.73 | POLB (0.36) | ALDH1A1KDM4EMEN1MAPTRAB9A | |
| SCHEMBL23815328 | 0.73 | CYP2A6 (0.43) | METAP2IDO1 | |
| SCHEMBL2765284 | 0.72 | KMT2A (0.52) | ALDH1A1SMN1; SMN2NOTUMKDM4EMEN1 |
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-2240506-A1 | INHIBITORS OF IAP | Genentech, Inc. (US) | 2010-10-20 | — | — | EP | disclosed |
| WO-2009089502-A1 | INHIBITORS OF IAP | GENENTECH, INC. (US) | 2009-07-16 | — | — | WO | disclosed |