Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | CASP3 | P42574 | 2/20 | 0.34 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.34 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NSD2 | O96028 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29468624 | 0.78 | ACHE (0.52) | ACHEALDH1A1MAPK1TSHRTDP1 | |
| SCHEMBL3143550 | 0.78 | ACHE (0.52) | ACHEALDH1A1MAPK1TSHRTDP1 | |
| SCHEMBL19255037 | 0.78 | ALDH1A1 (0.40) | ALDH1A1MAPK1PARP1TAAR1 | |
| SCHEMBL18773968 | 0.76 | ALDH1A1 (0.40) | ALDH1A1TSHRNPC1MEN1RAB9A | |
| SCHEMBL1162645 | 0.76 | ACHE (0.50) | ACHEALDH1A1MAPK1TSHRTDP1 | |
| SCHEMBL10427661 | 0.75 | OPRM1 (0.36) | ACHEALDH1A1TSHRTDP1MEN1 | |
| SCHEMBL18773999 | 0.75 | TP53 (0.37) | TP53CYP1A2SIGMAR1 | |
| SCHEMBL17466141 | 0.74 | ACHE (0.48) | ACHEALDH1A1MAPK1TSHRTDP1 | |
| SCHEMBL11990738 | 0.74 | ACHE (0.48) | ACHEALDH1A1MAPK1TSHRTDP1 | |
| SCHEMBL15085130 | 0.74 | ACHE (0.48) | ACHEALDH1A1MAPK1TSHRTDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022263548-A1 | 3-SUBSTITUTED 1H-PYRROLO[2,3-B]PYRIDINE AS GRK5 MODULATORS | LEAD DISCOVERY CENTER GMBH (DE) | 2022-12-22 | — | — | WO | disclosed |
| EP-3433246-B1 | 1-CYANO-PYRROLIDINE DERIVATIVES AS DBU INHIBITORS | MISSION THERAPEUTICS LTD (GB) | 2022-05-04 | — | — | EP | disclosed |
| EP-1773786-B1 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-04-26 | — | — | EP | disclosed |
| WO-2007085833-A2 | PYRIMIDINE DERIVATIVES | ASTRAZENECA AB (SE) | 2007-08-02 | — | — | WO | disclosed |